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(2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-methylpentanoic acid

(2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-methylpentanoic acid structure

CAS No:
187884-89-5
Formula:
C17H24N2O2
Chemical Name:
(2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-methylpentanoic acid
Synonyms:
L-Isoleucine,N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl); N-(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)-L-isoleucine;

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(2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-methylpentanoic acid Basic Attributes

Molecular Weight：

288.38500

Exact Mass：

288.183778013

DSSTox ID：

DTXSID00172110

Characteristics

PSA：

61.69000

XLogP3：

3.18560

Density：

1.13g/cm3

Boiling Point：

472.4ºC at 760mmHg

Flash Point：

239.5ºC

Refractive Index：

1.567

Vapor Pressure：

9.95E-10mmHg at 25°C

Computed Properties

Molecular Weight:288.4
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:288.183778013
Monoisotopic Mass:288.183778013
Topological Polar Surface Area:61.7
Heavy Atom Count:21
Complexity:415
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-methylpentanoic acid

Basic Attributes
Characteristics
Computed Properties
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