L-Valine ethyl ester HCl

CAT: 0926-FV34770-01Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FV34770-01Size:0.1 Kg

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CAS Number

17609-47-1

MDL Number

MFCD00012511

Smiles

CCOC (=O) [C@H] (C (C) C) N.Cl

Molecular Formula

C7H15NO2·HCl

Molecular Weight

181.66 g/mol

Controlled

Chemical Information

Ethyl L-valinate hydrochloride

CAS Number	17609-47-1
PubChem CID	87181
IUPAC Name	ethyl (2S)-2-amino-3-methylbutanoate;hydrochloride
Molecular Formula	C7H16ClNO2
Molecular Weight	181.66
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	112

SMILES

CCOC(=O)[C@H](C(C)C)N.Cl

InChI

InChI=1S/C7H15NO2.ClH/c1-4-10-7(9)6(8)5(2)3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m0./s1

InChIKey

PQGVTLQEKCJXKF-RGMNGODLSA-N

Chemical Structure

2D Structure

CAS: 17609-47-1

CID: 87181

Formula: C7H16ClNO2

MW: 181.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.66
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	181.0869564
Monoisotopic Mass	181.0869564
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	112
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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