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ASISCHEM D50964

ASISCHEM D50964 structure

CAS No:
115279-73-7
Formula:
C12H14N2
Chemical Name:
ASISCHEM D50964
Synonyms:
ASISCHEM D50964;1-(4-AMINOPHENYL)CYCLOPENTANECARBONITRILE;1-(4-aminophenyl)cyclopentanecarbonitrile(SALTDATA: FREE);1-(4-aminophenyl)cyclopentane-1-carbonitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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ASISCHEM D50964 Basic Attributes

Molecular Weight：

186.258

Exact Mass：

186.11600

DSSTox ID：

DTXSID40354291

HScode：

2926909090

Characteristics

PSA：

49.8

XLogP3：

2.3

Density：

1.11±0.1 g/cm3(Predicted)

Boiling Point：

375.0±35.0 °C(Predicted)

Flash Point：

180.6ºC

Refractive Index：

1.584

Safety Information

GHS Classification：

|Warning|H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]|P201, P202, P273, P281, P308+P313, P391, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:186.25
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:186.115698455
Monoisotopic Mass:186.115698455
Topological Polar Surface Area:49.8
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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