Methyl 5-aminopentanoate hydrochloride

HCID 13672034CAS 29840-56-0

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)CCCCN.Cl
InChIKey: FAKIZCQRTPAOSH-UHFFFAOYSA-N
Molecular formula: C6H14ClNO2
Average molar mass: 167.63 g/mol
Monoisotopic mass: 167.07130637

Names & identifiers

Preferred name: Methyl 5-aminopentanoate hydrochloride
IUPAC: methyl 5-aminopentanoate;hydrochloride
English name: Methyl 5-aminopentanoate hydrochloride
Molecular formula: C6H14ClNO2
Molecular weight: 167.63386

Names & synonyms

Methyl 5-aminopentanoate hydrochlorideRefChem:816890817-170-429840-56-0methyl 5-aminovalerate hydrochlorideMFCD13368250methyl 5-aminopentanoate;hydrochloride5-AminopentanoicAcidMethylEsterHydrochloride-d45-aminopentanoic acid methyl ester hydrochloridePentanoic acid, 5-amino-, methyl ester, hydrochlorideSY117564EN300-56454

Show more names

Methyl 5-amino-pentanoate HClEthyl 5-aMinopentanoate hydrochloride5-Amino-pentanoic acid methyl ester HClmethyl 5-aminopentanoate hydrochloride (1:1)delta-Aminovaleric acid methyl ester hydrochloride5-amino-Pentanoic acid methyl ester hydrochloride (1:1)methyl ester- 5-amino- Pentanoic acid, hydrochloride (1:1)

Methyl 5-Aminopentanoate HClmethyl 5-azanylpentanoate hydrochloride5-Aminopentanoic acid methyl ester HClFT-0698187methyl 5-aminovalerate hydroSCHEMBL516410orb3175471DTXSID00546357

Database identifiers

CAS: 29840-56-0
PubChem CID: 13672034
DTXSID: DTXSID00546357
EC Number: 817-170-4

Properties

Computed structural properties

Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 83.1

Physicochemical properties

Melting point: 145.5 · 145.5-147℃
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
InChI: InChI=1S/C6H13NO2.ClH/c1-9-6(8)4-2-3-5-7;/h2-5,7H2,1H3;1H
InChIKey: FAKIZCQRTPAOSH-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCCCN.[H]Cl
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P261-P271
HS Code: 2922498590 · 2922498590

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