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L-Valine methyl ester hydrochloride(CAS No. 6306-52-1)

L-Valine methyl ester hydrochloride C6H14ClNO2 (cas 6306-52-1) Molecular Structure

6306-52-1 Structure

Identification and Related Records

【Name】
L-Valine methyl ester hydrochloride
【Iupac name】
methyl (2S)-2-amino-3-methylbutanoate hydrochloride
【CAS Registry number】
6306-52-1
【Synonyms】
H-Val-OMe·HCl
【EINECS(EC#)】
228-620-9
【Molecular Formula】
C6H14ClNO2 (Products with the same molecular formula)
【Molecular Weight】
167.63
【Inchi】
InChI=1/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
【Canonical SMILES】
CC(C)C(C(=O)OC)N.Cl
【Isomers smiles】
CC(C)[C@@H](C(=O)OC)N.Cl
【MOL File】
6306-52-1.mol

Chemical and Physical Properties

【Appearance】
White to off-white crystalline powder
【Melting Point】
171-173℃
【Boiling Point】
145.7 oC at 760 mmHg
【Refractive Index】
15.5 ° (C=2, H2O)
【Flash Point】
20.7oC
【Alpha】
15.5 o (C=2,H2O 24 oC)
【Stability】
Stable. Incompatible with strong oxidizing agents.
【HS Code】
29224995
【Storage temp】
Store at RT.
【Computed Properties】
Molecular Weight:167.63386 [g/mol]
Molecular Formula:C6H14ClNO2
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:167.071306
MonoIsotopic Mass:167.071306
Topological Polar Surface Area:52.3
Heavy Atom Count:10
Formal Charge:0
Complexity:101
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

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【HazardClass】
IRRITANT
【Safety】

Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-24/25-36-26?
S22: Do not breathe dust
S24/25: Avoid contact with skin and eyes
S36: Wear suitable protective clothing
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
HazardClass: IRRITANT
HS Code: 29224995

【Transport】
OTH
【Specification】

Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,NITROGEN oxides, HYDROGEN chloride gas.

Supplier Location

Top Suppliers

Diamond member Hubei XinRunde Chemical Co., Ltd
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Business Type:Manufacturer
Telephone:86-188-74586545
Diamond member Nanjing Bangnuo Biotechnology Co., Ltd
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Telephone:86-312-18103315327
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Telephone:86-21-15301650010
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