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(3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

(3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide structure

CAS No:
149182-72-9
Formula:
C14H20N2O
Chemical Name:
(3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
Synonyms:
3-Isoquinolinecarboxamide,N-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-,(3S)-;3-Isoquinolinecarboxamide,N-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-,(S)-;(3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide;(S)-N-tert-Butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3S)-N-tert-Butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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(3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide Basic Attributes

Molecular Weight：

232.321

Exact Mass：

232.32

EC Number：

414-600-9

HScode：

2933499090

Characteristics

PSA：

41.13000

XLogP3：

1.18

Appearance：

similar to white crystalline powder

Density：

1.0±0.1 g/cm3

Melting Point：

98-99 °C(lit.)

Boiling Point：

426.8±34.0 °C at 760 mmHg

Flash Point：

166.9±25.8 °C

Refractive Index：

1.529

Vapor Pressure：

1.72E-07mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22;R52/53

safety instructions：

S61

Marks：

Xn:Harmful;

Precautionary statement(s)：

P273

Hazard Statements：

H302-H412

GHS Classification：

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:232.32
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:232.157563266
Monoisotopic Mass:232.157563266
Topological Polar Surface Area:41.1
Heavy Atom Count:17
Complexity:282
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on (3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

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Guide of (3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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(3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

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