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2-amino-4-oxo-4-phenylbutanoic acid,hydrochloride

2-amino-4-oxo-4-phenylbutanoic acid,hydrochloride structure

CAS No:
6310-42-5
Formula:
C10H12ClNO3
Chemical Name:
2-amino-4-oxo-4-phenylbutanoic acid,hydrochloride
Synonyms:
2-amino-4-oxo-4-phenylbutanoic acid hydrochloride;

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2-amino-4-oxo-4-phenylbutanoic acid,hydrochloride Basic Attributes

Molecular Weight：

229.66000

Exact Mass：

229.0505709

NSC Number：

41591

DSSTox ID：

DTXSID20639977

HScode：

2922509090

Characteristics

PSA：

80.39000

XLogP3：

2.17360

Density：

1.265g/cm3

Boiling Point：

402.4ºC

Flash Point：

197.1ºC

Refractive Index：

1.577

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:229.66
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:229.0505709
Monoisotopic Mass:229.0505709
Topological Polar Surface Area:80.4
Heavy Atom Count:15
Complexity:221
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-amino-4-oxo-4-phenylbutanoic acid,hydrochloride

Basic Attributes
Characteristics
Safety Information
Computed Properties
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