2-Amino-3-methylpentan-1-ol

HCID 91202

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Basic information

CAS: 24629-25-2
Standard SMILES: CCC(C)C(N)CO
InChIKey: VTQHAQXFSHDMHT-UHFFFAOYSA-N
Molecular formula: C6H15NO
Average molar mass: 117.19 g/mol
Monoisotopic mass: 117.1153641

Names & identifiers

Preferred name: 2-Amino-3-methylpentan-1-ol
IUPAC: 2-amino-3-methylpentan-1-ol
English name: L-ISOLEUCINOL HYDROCHLORIDE
Molecular formula: C6H15NO
Molecular weight: 117.19

Names & synonyms

2-Amino-3-methylpentan-1-olDTXSID20947529EINECS 246-371-4RefChem:463942DTXCID001375787246-371-424629-25-24379-13-92-Amino-3-methyl-1-pentanolIsoleucinol1-Pentanol, 2-amino-3-methyl-D-Isoleucinol

Show more names

2-azanyl-3-methyl-pentan-1-ol2-amino-3-methylpentan-1-ol(SALTDATA: FREE)

DL-IsoleucinolSCHEMBL1169504SCHEMBL4034929SCHEMBL65466412-amino-3-methyl-pentan-1-oll-2-Amino-3-methyl-1-pentanol2-Amino-3-methyl-1-pentanol #ALBB-021091

Database identifiers

CAS: 24629-25-2、4379-13-9
PubChem CID: 91202
DTXSID: DTXSID20947529
EC Number: 246-371-4
Nikkaji: J3.022.984C

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 56.5

Physicochemical properties

Boiling point: 112 · 112-115 °C(Press: 100 Torr)
Density: 0.9802 g/cm3 · 0.9802 g/cm3
storage temp.: 20 °C · −20°C
pka: 12.88 · 12.88±0.10(Predicted)
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.

Warning

H315 (33.3%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.