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(E)-3-AMINO-3-(4-CHLOROPHENYL)-2-PROPENENITRILE

(E)-3-AMINO-3-(4-CHLOROPHENYL)-2-PROPENENITRILE structure

CAS No:
107840-43-7
Formula:
C9H7ClN2
Chemical Name:
(E)-3-AMINO-3-(4-CHLOROPHENYL)-2-PROPENENITRILE
Synonyms:
(E)-3-amino-3-(4-chlorophenyl)-2-propenenitrile;2-Propenenitrile, 3-amino-3-(4-chlorophenyl)-;SCHEMBL562513;beta-amino-4-chlorocinnamonitrile;KS-00001ZO0;AKOS028111752;MCULE-7905924919

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(E)-3-AMINO-3-(4-CHLOROPHENYL)-2-PROPENENITRILE Basic Attributes

Molecular Weight：

178.62

Exact Mass：

178.03

Characteristics

PSA：

49.8

XLogP3：

1.8

Melting Point：

124.8 °C

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, 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:178.62
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:178.0297759
Monoisotopic Mass:178.0297759
Topological Polar Surface Area:49.8
Heavy Atom Count:12
Complexity:218
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (E)-3-AMINO-3-(4-CHLOROPHENYL)-2-PROPENENITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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