3-Aminopentan-2-ol

HCID 226832

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Basic information

CAS: 50411-28-4
Standard SMILES: CCC(N)C(C)O
InChIKey: BKFGLDUWYUYHRF-UHFFFAOYSA-N
Molecular formula: C5H13NO
Average molar mass: 103.16 g/mol
Monoisotopic mass: 103.09971404

Names & identifiers

Preferred name: 3-Aminopentan-2-ol
IUPAC: 3-aminopentan-2-ol

Names & synonyms

3-aminopentan-2-ol3-amino-2-pentanolDTXSID00964673RefChem:497755DTXCID401392363894-164-850411-28-4NSC17698MFCD112136452-Pentanol, 3-amino-3-amino-pentan-2-olSCHEMBL565889

Show more names

SCHEMBL786766SCHEMBL2928029SCHEMBL10585980BKFGLDUWYUYHRF-UHFFFAOYSA-N215672-67-6NSC-17698AKOS022719748EN300-245366

Database identifiers

CAS: 50411-28-4
PubChem CID: 226832
DTXSID: DTXSID00964673
EC Number: 894-164-8
Nikkaji: J89.553I

Properties

Computed structural propertiesFilling in

XLogP: 0
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 47.3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.