2,3-Dihydro-α-methyl-7-benzofuranethanamine monohydrochloride
Also: 7-APDB hydrochloride, 7-Benzofuranethanamine, 2,3-dihydro-α-methyl-, hydrochloride (1:1), α-methyl-7-benzofuranethanamine,monohydrochloride
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- 0a128b2c-5e6b-41ee-a775-5731a6f568e1
- Version
- 5
- UNII
- C4KA5T4W9H
- Codes
- Uuid
- 8f0c4363-efd0-555a-f509-ad655b367343
- Code
- 137699802
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/137699802
- Code system
- PUBCHEM
- References
- fb76e88a-5383-4b3a-cbd7-1ce5d0e4d11c
- Uuid
- 745fc0e1-be6a-4036-b72c-a267d631e819
- Code
- 2736643-47-1
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=2736643-47-1
- Code system
- CAS
- References
- c00fb8bc-9d4a-4eb7-958f-9c7f896ceedb
- Uuid
- b3d6c833-9f22-4938-a91a-8e99c8565118
- Code
- C4KA5T4W9H
- Type
- PRIMARY
- Code system
- FDA UNII
- Relationships
- Uuid
- 870f5a87-79a1-4019-8a61-6dc406a1349e
- Type
- PARENT->SALT/SOLVATE
- Amount
- Uuid
- 965081d3-2d8c-4fb8-86c0-92d408b9075c
- References
- c00fb8bc-9d4a-4eb7-958f-9c7f896ceedb
- Related substance
- Uuid
- 9548b6c4-a910-4319-84f9-40979ed950f1
- Refuuid
- 95005207-36e1-40ee-97fa-af1c16ac0a14
- Name
- 7-APDB
- UNII
- NU6FVT2LW9
- Linking ID
- NU6FVT2LW9
- Ref pname
- 7-APDB
- Substance class
- reference
- Names
- Uuid
- 9f0f4c30-6192-4e3f-b47b-4c1607b6b202
- Name
- 2,3-Dihydro-α-methyl-7-benzofuranethanamine monohydrochloride
- StdName
- 2,3-DIHYDRO-.ALPHA.-METHYL-7-BENZOFURANETHANAMINE MONOHYDROCHLORIDE
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- fb76e88a-5383-4b3a-cbd7-1ce5d0e4d11c
- Uuid
- 21f1638e-58c0-4422-8919-1001bc307ffc
- Name
- 7-APDB hydrochloride
- StdName
- 7-APDB HYDROCHLORIDE
- Type
- cn
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- c00fb8bc-9d4a-4eb7-958f-9c7f896ceedb
- Uuid
- 9817421f-3207-4600-a6fa-ebc1ae6f3392
- Name
- 7-Benzofuranethanamine, 2,3-dihydro-α-methyl-, hydrochloride (1:1)
- StdName
- 7-BENZOFURANETHANAMINE, 2,3-DIHYDRO-.ALPHA.-METHYL-, HYDROCHLORIDE (1:1)
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- c00fb8bc-9d4a-4eb7-958f-9c7f896ceedb
- Uuid
- 9df93587-7644-4ec0-ba19-dc628dd981d4
- Name
- α-methyl-7-benzofuranethanamine,monohydrochloride
- StdName
- .ALPHA.-METHYL-7-BENZOFURANETHANAMINE,MONOHYDROCHLORIDE
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- c00fb8bc-9d4a-4eb7-958f-9c7f896ceedb
- References
- Uuid
- fb76e88a-5383-4b3a-cbd7-1ce5d0e4d11c
- Citation
- PUBCHEM
- Doc type
- PUBCHEM
- Public domain
- true
- Uuid
- c00fb8bc-9d4a-4eb7-958f-9c7f896ceedb
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Tags
- PUBLIC_DOMAIN_RELEASE
- Moieties
- Uuid
- 785ae367-8b99-45a8-9117-75b87d5e7d12
- ID
- 785ae367-8b99-45a8-9117-75b87d5e7d12
- Smiles
- CC(Cc1cccc2CCOc21)N
- Formula
- C11H15NO
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- RACEMIC
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 177.2433
- Optical activity
- ( + / - )
- Stereo centers
- 1
- Molfile
Marvin 02282313292D 13 14 0 0 0 0 999 V2000 13.5406 -2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8473 -2.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3158 -3.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6226 -3.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6438 -3.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1090 -3.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2760 -2.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5980 -4.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8768 -5.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8768 -3.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8768 -5.8839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1024 -2.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1888 -4.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 2 0 0 0 0 2 10 2 0 0 0 0 2 12 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 9 11 1 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 0b2de12f-3635-4b5a-9b54-7bde9e54bd7c
- Uuid
- 3d0438a1-2978-4e44-9d1c-4a255962f2a5
- ID
- 3d0438a1-2978-4e44-9d1c-4a255962f2a5
- Molfile
- Marvin 02282313292D 1 0 0 0 0 0 999 V2000 15.9498 -4.0974 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 M END
- Smiles
- Cl
- Formula
- ClH
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 36.4609
- Optical activity
- NONE
- Stereo centers
- 0
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 25ad1187-b75c-4c1b-a407-dff465459fb2
- Structure
- ID
- 82ec62b2-f955-4e0f-9c65-61d2871ca587
- Smiles
- CC(Cc1cccc2CCOc21)N.Cl
- Formula
- C11H15NO.ClH
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- RACEMIC
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 213.7042
- Optical activity
- ( + / - )
- Stereo centers
- 1
- Molfile
JSDraw206252410202D 14 14 0 0 0 0 0 V2000 20.2489 -11.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2489 -9.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5999 -8.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5999 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2479 -6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2479 -4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5999 -4.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9518 -4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4390 -4.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3541 -5.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4390 -7.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9518 -6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8979 -8.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.6941 -7.6960 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 2 0 0 0 0 4 12 1 0 0 0 0 2 13 1 0 0 0 0 M END
- References
- c00fb8bc-9d4a-4eb7-958f-9c7f896ceedb