Substances (GSRS)

2,6-dinitro-N-propyl-4-toluidine

Also: 4-Methyl-2,6-dinitro-N-propylbenzenamine, Benzenamine, 4-methyl-2,6-dinitro-N-propyl-, p-Toluidine, 2,6-dinitro-N-propyl-

chemicalUNII 88U5KX5KL6

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

0ba44be4-45b4-482c-97df-47479be0abd9

Version

UNII

88U5KX5KL6

Codes

Uuid
c7cc47d4-b495-4765-b6a6-1b9561b02ca8
Code
2078-03-7
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=2078-03-7
Code system
CAS
References
98b6019a-9af9-4dcf-a448-2a9dc57ed1f9, 80fd2675-b3bf-4dfe-a0cd-f49f2d35b80c
Uuid
3afed097-472a-44e7-1681-d817ec74fd81
Code
12199419
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/12199419
Code system
PUBCHEM
References
f39e2114-e184-b5e0-86a3-2129f095b4aa
Uuid
c5a2a2ed-9900-47ac-bc54-1b86da25036f
Code
88U5KX5KL6
Type
PRIMARY
Code system
FDA UNII
References
80fd2675-b3bf-4dfe-a0cd-f49f2d35b80c

Names

Uuid
391a3170-c91d-4313-bf5a-d248efe2a988
Name
2,6-dinitro-N-propyl-4-toluidine
StdName
2,6-DINITRO-N-PROPYL-4-TOLUIDINE
Type
sys
Preferred
false
Display name
true
Languages
en
References
54e913cc-84f3-42ba-adba-6d5172a2f5aa
Uuid
6a5e450d-6b85-4c82-81df-1ceb1782be74
Name
4-Methyl-2,6-dinitro-N-propylbenzenamine
StdName
4-METHYL-2,6-DINITRO-N-PROPYLBENZENAMINE
Type
sys
Preferred
false
Display name
false
Languages
en
References
80fd2675-b3bf-4dfe-a0cd-f49f2d35b80c
Uuid
27106019-f8d6-4e9c-b145-719a950d0866
Name
Benzenamine, 4-methyl-2,6-dinitro-N-propyl-
StdName
BENZENAMINE, 4-METHYL-2,6-DINITRO-N-PROPYL-
Type
sys
Preferred
false
Display name
false
Languages
en
References
80fd2675-b3bf-4dfe-a0cd-f49f2d35b80c
Uuid
41e0270f-08c0-49a8-89bb-89c77cd701cb
Name
p-Toluidine, 2,6-dinitro-N-propyl-
StdName
P-TOLUIDINE, 2,6-DINITRO-N-PROPYL-
Type
sys
Preferred
false
Display name
false
Languages
en
References
80fd2675-b3bf-4dfe-a0cd-f49f2d35b80c

References

Uuid
54e913cc-84f3-42ba-adba-6d5172a2f5aa
Citation
CFSAN
Doc type
SRS
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
Uuid
98b6019a-9af9-4dcf-a448-2a9dc57ed1f9
Citation
SRS CODE IMPORT
Doc type
SRS
Public domain
true
Document date
1493394112000
Tags
NOMEN
Uuid
f39e2114-e184-b5e0-86a3-2129f095b4aa
Citation
PUBCHEM
Doc type
PUBCHEM
Public domain
true
Uuid
80fd2675-b3bf-4dfe-a0cd-f49f2d35b80c
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true

Moieties

Uuid
cbcbfd08-7d71-425b-badc-233ef26e6c26
ID
cbcbfd08-7d71-425b-badc-233ef26e6c26
Smiles
CCCNc1c(cc(C)cc1[N+](=O)[O-])[N+](=O)[O-]
Formula
C10H13N3O4
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
239.2283
Optical activity
NONE
Stereo centers
0
Molfile
Marvin 01132110312D 17 17 0 0 0 0 999 V2000 1.9275 -6.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9262 -5.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6401 -5.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6389 -4.1903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3528 -3.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3528 -2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -2.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7841 -2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 -2.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7841 -3.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -4.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -5.0122 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7829 -5.4247 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3540 -5.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -2.5371 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9238 -2.9518 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6346 -1.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 7 6 2 0 0 0 0 15 6 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 M CHG 4 12 1 13 -1 15 1 16 -1 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
e12dc72a-c3d4-41df-a7dd-bca70b08704f

Structure

ID: 3d7f9c09-68a8-4419-a277-fb487f95bd32
Smiles: CCCNc1c(cc(C)cc1[N+](=O)[O-])[N+](=O)[O-]
Formula: C10H13N3O4
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ACHIRAL
Defined stereo: 0
Ez centers: 0
Molecular weight: 239.2283
Optical activity: NONE
Stereo centers: 0
Molfile: Marvin 01132103152D 17 17 0 0 0 0 999 V2000 2.6371 -2.5371 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9238 -2.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6346 -1.7122 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0684 -5.0122 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7829 -5.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -5.4247 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6401 -5.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9262 -5.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 -6.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3528 -3.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -4.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7841 -3.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7841 -2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -2.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3528 -2.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6389 -4.1903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 -2.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 13 17 1 0 0 0 0 7 16 1 0 0 0 0 4 11 1 0 0 0 0 1 15 1 0 0 0 0 M CHG 4 1 1 3 -1 4 1 6 -1 M END
References: 54e913cc-84f3-42ba-adba-6d5172a2f5aa

Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.