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4-(Cyclohexylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile

4-(Cyclohexylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile structure

CAS No:
968-85-4
Formula:
C19H27N3
Chemical Name:
4-(Cyclohexylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile
Synonyms:
4-Piperidinecarbonitrile,4-(cyclohexylamino)-1-(phenylmethyl)-;Isonipecotonitrile,1-benzyl-4-(cyclohexylamino)-;4-(Cyclohexylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile;NSC 73006;1-Benzyl-4-(cyclohexylamino)piperidine-4-carbonitrile

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4-(Cyclohexylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile Basic Attributes

Molecular Weight：

297.43778

Exact Mass：

297.44

EC Number：

213-532-5

NSC Number：

73006

DSSTox ID：

DTXSID30242512

HScode：

2933399090

Characteristics

PSA：

39.1

XLogP3：

3.79588

Density：

1.08g/cm3

Melting Point：

82-83 °C

Boiling Point：

446.9ºC at 760mmHg

Flash Point：

224.1ºC

Refractive Index：

1.572

Safety Information

safety instructions：

S36/37

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|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:297.4
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:297.220497874
Monoisotopic Mass:297.220497874
Topological Polar Surface Area:39.1
Heavy Atom Count:22
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(Cyclohexylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-(Cyclohexylamino)-1-(phenylmethyl)-4-piperidinecarbonitrile

SDS

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