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1-Cyanoadamantane

1-Cyanoadamantane structure

CAS No:
23074-42-2
Formula:
C11H15N
Chemical Name:
1-Cyanoadamantane
Synonyms:
Tricyclo[3.3.1.13,7]decane-1-carbonitrile;1-Adamantanecarbonitrile;1-Adamantylnitrile;1-Cyanoadamantane;1-Adamantyl cyanide;1-Adamantane carboxylic acid nitrile;NSC 137842
Categories:
Specialty Chemicals

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Description

white granular powder

1-Cyanoadamantane Basic Attributes

Molecular Weight：

161.24

Exact Mass：

161.24

EC Number：

245-413-9

NSC Number：

137842

DSSTox ID：

DTXSID40177644

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.44

Density：

1.1±0.1 g/cm3

Melting Point：

184-187 °C

Boiling Point：

274.5±9.0 °C at 760 mmHg

Flash Point：

110.8±6.5 °C

Refractive Index：

1.535

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-20/21-36/37/38

safety instructions：

36-23-26

Marks：

Xn,Xi

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Warning|H302 (95.45%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-cyanoadamantane

Computed Properties

Molecular Weight:161.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Exact Mass:161.120449483
Monoisotopic Mass:161.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes