4-Methoxybutan-1-amine

HCID 533909

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Substructure search Find similar structures

Basic information

CAS: 34039-36-6
Standard SMILES: COCCCCN
InChIKey: YUUFAJOXLZUDJG-UHFFFAOYSA-N
Molecular formula: C5H13NO
Average molar mass: 103.16 g/mol
Monoisotopic mass: 103.09971404

Names & identifiers

Preferred name: 4-Methoxybutan-1-amine
IUPAC: 4-methoxybutan-1-amine
English name: 4-Methoxybutylamine
Molecular formula: C5H13NO
Molecular weight: 103.16

Names & synonyms

4-methoxybutan-1-amineRefChem:524756817-744-434039-36-64-Methoxybutylamine4-Methoxy-1-butanamine1-Butanamine, 4-methoxy-MFCD00086086Butylamine, 4-methoxy-4-methoxy-butylaminemethyl-4-aminobutylate[4-(methyloxy)butyl]amine

Show more names

SCHEMBL179927SCHEMBL179928SCHEMBL7319163SCHEMBL8990343SCHEMBL27528827DTXSID701347624AKOS000162031BS-12682

Database identifiers

CAS: 34039-36-6
PubChem CID: 533909
DTXSID: DTXSID701347624
EC Number: 817-744-4
Nikkaji: J146.553H

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 31.3

Physicochemical properties

Boiling point: 115 · 115-120 °C(Press: 0.05 Torr)
Density: 0.851 · 0.851±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 10.32 · 10.32±0.10(Predicted)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (50%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501