Benzenamine, 4-butyl-2-nitro-

HCID 77229

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Basic information

CAS: 3663-22-7
Standard SMILES: CCCCc1ccc(N)c([N+](=O)[O-])c1
InChIKey: RAKSJFYIAHRHCH-UHFFFAOYSA-N
Molecular formula: C10H14N2O2
Average molar mass: 194.23 g/mol
Monoisotopic mass: 194.10552769

Names & identifiers

Preferred name: Benzenamine, 4-butyl-2-nitro-
IUPAC: 4-butyl-2-nitroaniline
English name: 4-butyl-2-nitroaniline
Molecular formula: C10H14N2O2
Molecular weight: 194.23

Names & synonyms

3663-22-7Benzenamine, 4-butyl-2-nitro-EINECS 222-916-1DTXSID3074602RefChem:561879DTXCID70392064-Butyl-2-nitroaniline4-Butyl-2-nitrobenzenamineMFCD237259642V4YCA6UEZ2-nitro-4-n-butylaniline4-n-Butyl-2-nitroaniline

Show more names

Benzenamine,4-butyl-2-nitro-4-butyl-2-nitroaniline C10H14N2O2 194.23

UNII-2V4YCA6UEZ4-butyl-2-nitro-anilineSCHEMBL2647110AKOS017530041AS-48007SY120044DB-128867NS00030067

Database identifiers

CAS: 3663-22-7
PubChem CID: 77229
DTXSID: DTXSID3074602
UNII: 2V4YCA6UEZ
EC Number: 222-916-1
Nikkaji: J205.576G

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 191

Physicochemical properties

Boiling point: 118 °/0.1mm · 118°/0.1mm
storage temp.: 2 · 2-8°C(protect from light)
FDA UNII: 2 V4YCA6UEZ · 2V4YCA6UEZ
EPA Substance Registry System: 4 · Benzenamine, 4-butyl-2-nitro- (3663-22-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed
HS Code: 2921490090 · 2921490090