CAS 51220-50-9 Methyl 2-aminopentanoate (HCID 533890)

Substructure search Find similar structures

Basic information

CAS: 51220-50-9
Standard SMILES: CCCC(N)C(=O)OC
InChIKey: VXGRMCZTYDXKQW-UHFFFAOYSA-N
Molecular formula: C6H13NO2
Average molar mass: 131.17 g/mol

Names & identifiers

Preferred name: Methyl 2-aminopentanoate
IUPAC: methyl 2-aminopentanoate
English name: DL-Norvaline methyl ester
Molecular formula: C6H13NO2
Molecular weight: 131.17

Names & synonyms

Methyl 2-aminopentanoate51220-50-9RefChem:814114816-095-42-amino-pentanoic acid methyl esternorvaline, methyl ester, hydrochloridemethyl norvalinateDL-Norvaline, methyl esterMethyl2-aminopentanoatedl-norvaline methyl esterMethyl 2-aminopentanoate #SCHEMBL628809

Show more names

norvaline methyl esterDL-Norvalin-methylesterDL-2-Amino-valeriansaeure-methylester

SCHEMBL10366587SCHEMBL27901854SCHEMBL27938340ALBB-016213STL122204AKOS000803808AKOS016053413SB47710

Database identifiers

CAS: 51220-50-9
PubChem CID: 533890
EC Number: 816-095-4
Nikkaji: J1.380.913E

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 93.1

Physicochemical properties

Boiling point: 152.311 · 152.311±13.00 °C(Press: 760.00 Torr)(predicted)
Density: 0.971 · 0.971±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 7.919 · 7.919±0.35(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

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1C (100%)

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