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methyl(2S)-2-amino-3,3-dimethylbutanoate

methyl(2S)-2-amino-3,3-dimethylbutanoate structure

CAS No:
63038-26-6
Formula:
C7H15NO2
Chemical Name:
methyl(2S)-2-amino-3,3-dimethylbutanoate
Synonyms:
(S)-Methyl 2-aMino-3,3-diMethylbutanoate;L-tert-leucine Methyl ester HCl;L-tert-Leucine Methyl Ester;methyl (2S)-2-amino-3,3-dimethylbutanoate;(S)-TERT-LEUCINE METHYL ESTER;L-VALINE, 3-METHYL-, METHYL ESTER;(S)-methyl 2-amino-3,3-dimethylbutanoate(WXG02636);L-tert-Leucine Methyl Ester
Categories:
Chemical Reagents > Organic Reagents

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methyl(2S)-2-amino-3,3-dimethylbutanoate Basic Attributes

Molecular Weight：

145.2

Exact Mass：

145.110278721

UNII：

AYQ4AC12JA

DSSTox ID：

DTXSID20461851

HScode：

2922499990

Characteristics

PSA：

52.32000

XLogP3：

1.23310

Density：

0.957±0.06 g/cm3

Boiling Point：

69°C/16mmHg(lit.)

Refractive Index：

1.4300 to 1.4340

PKA：

8.01±0.37

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

UN 1993 3/PG III

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:145.20
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:145.110278721
Monoisotopic Mass:145.110278721
Topological Polar Surface Area:52.3
Heavy Atom Count:10
Complexity:126
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 63038-26-6

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63038-26-6 methyl (2S)-2-amino-3,3-dimethylbutanoate

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