CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
CAS: 40487-42-1
Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
SMILES: CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]

Molecular Processing

Molecular formula
C13H19N3O4
Molecular weight
281.31
Exact mass
281.1376
XLogP
3.72
TPSA
98.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
77.22

Supplementary Information

InChIKey: CHIFOSRWCNZCFN-UHFFFAOYSA-N
Synonyms
PENDIMETHALIN40487-42-1PendimethalinePenoxalineProwlPhenoxalinHerbadoxAccotabStompPenoxynSipaxol3,4-Dimethyl-2,6-dinitro-N-(pentan-3-yl)anilineWay UpTendimethalinGo-Go-SanWayupSWGCN-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidineStomp 330DStomp 330EN-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamineSouthern Weed Grass ControlCaswell No. 454BB3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)anilineDTXSID7024245AC 92553N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroanilineN-(3-Pentyl)-3,4-dimethyl-2,6-dinitroanilineVL6L14C06UAniline, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-
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Involved in 21 reactions→

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