CAS 34874-62-9 N,N-Dibutyl-3-methoxybenzenamine (HCID 4068285)

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Basic information

CAS: 34874-62-9
Standard SMILES: CCCCN(CCCC)c1cccc(OC)c1
InChIKey: BHRRIXUIPSCYJA-UHFFFAOYSA-N
Molecular formula: C15H25NO
Average molar mass: 235.36 g/mol
Monoisotopic mass: 235.19361442

Names & identifiers

Preferred name: N,N-Dibutyl-3-methoxybenzenamine
IUPAC: N,N-dibutyl-3-methoxyaniline
English name: N,N-Dibutyl-3-methoxyaniline
Molecular formula: C15H25NO
Molecular weight: 235.37

Names & synonyms

N,N-dibutyl-3-methoxyanilineN,N-Dibutyl-3-methoxybenzenamineDTXSID90130162834874-62-9RefChem:822223DTXCID101731716661-173-1Dibutyl(3-methoxyphenyl)amineSCHEMBL8664850BHRRIXUIPSCYJA-UHFFFAOYSA-NAKOS024324694Benzenamine, N,N-dibutyl-3-methoxy-

Database identifiers

CAS: 34874-62-9
PubChem CID: 4068285
DTXSID: DTXSID901301628
EC Number: 661-173-1
Nikkaji: J1.653.324F

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 176

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H410
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.