CAS 30273-11-1 Benzenamine, 4-(1-methylpropyl)- (HCID 121771)

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Basic information

CAS: 30273-11-1
Standard SMILES: CCC(C)c1ccc(N)cc1
InChIKey: NVVVQTNTLIAISI-UHFFFAOYSA-N
Molecular formula: C10H15N
Average molar mass: 149.23 g/mol
Monoisotopic mass: 149.12044948

Names & identifiers

Preferred name: Benzenamine, 4-(1-methylpropyl)-
IUPAC: 4-butan-2-ylaniline
English name: 4-SEC-BUTYLANILINE
Molecular formula: C10H15N
Molecular weight: 149.23

Names & synonyms

4-sec-Butylaniline30273-11-1Benzenamine, 4-(1-methylpropyl)-4-Amino-sec-butylbenzeneEINECS 250-108-9DTXSID00865535RefChem:561826DTXCID80813933250-108-94-(sec-butyl)aniline4-butan-2-ylanilinep-sec-Butylaniline

Show more names

AKOS BBS-000037014-(2-BUTYL)ANILINE4-sec-butylbenzenamine4-sec-Butylaniline >4-SEC-BUTYLANILINE 98%4-(secbutyl)benzeneamine

4-(butan-2-yl)anilineMFCD00010223N-(4-sec-butyl-phenyl)-amine(4-sec-butylphenyl)amine(R)-4-(sec-Butyl)anilineAKOS016039392GS-3260SB47733

Database identifiers

CAS: 30273-11-1
PubChem CID: 121771
DTXSID: DTXSID00865535
EC Number: 250-108-9
Nikkaji: J208.127J

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 103

Physicochemical properties

Melting point: 1.08 °C · 1.08°C (estimate)
Boiling point: 244 · 244-245 °C727 mm Hg(lit.)
Density: 0.977 g/mL · 0.977 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.537(lit.)
Flash point: 226 °F · 226 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
pka: 5.02 · 5.02±0.10(Predicted)
color: Colorless to Yellow
CAS DataBase Reference: 30273 · 30273-11-1(CAS DataBase Reference)
EPA Substance Registry System: 4 · Benzenamine, 4-(1-methylpropyl)- (30273-11-1)
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319
Precautionary statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenamine, 4-(1-methylpropyl)-

Benzenamine, 4-(1-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 2921490090
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS06,GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
packing_group: III
Hazard statements: H301+H311+H331-H315-H319
Precautionary statements: P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 4-(1-methylpropyl)-: ACTIVE

Applications

Uses4-(1-Methylpropyl)aniline is a useful reagent in the preparation of [dimethyl(dioxo)purinyl]alkanecarboxamides as multifunctional TRPA1 antagonists and PDE4/7 inhibitors for the treatment of pains.