AG00FAM0

702-03-4 | 3-(Cyclohexylamino)propanenitrile

AG00FAM0

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CAS Number	702-03-4
Catalog Number	AG00FAM0(AGN-PC-0JL4BS)
Chemical Name	3-(Cyclohexylamino)propanenitrile
EC Number	211-864-5
IUPAC Name	3-(cyclohexylamino)propanenitrile
InChI	InChI=1S/C9H16N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-6,8H2
InChI Key	OLUJYRYCQHJDKJ-UHFFFAOYSA-N
MDL Number	MFCD00021325
Molecular Formula	C9H16N2
Molecular Weight	152.2367
SMILES	C1(CCCCC1)NCCC#N
Synonyms	3-(cyclohexylamino)propanenitrile, 702-03-4, 3-(Cyclohexylamino)propionitrile, 3-Cyclohexylaminopropiononitrile, N-(2-Cyanoethyl)cyclohexylamine, EINECS 211-864-5, Propanenitrile, 3-(cyclohexylamino)-, AI3-33235, AC1L1UQR, AC1Q4SDC, SCHEMBL3167403, DTXSID20220465, 3-(Cyclohexylamino)propionitrile,, KS-000031RR, ZINC1769286, 8411AE, MFCD00021325, SBB017653, AKOS005289648, MCULE-2902362345, DB-021703, TR-023277, FT-0676257, ST50409738, A836803, 12W-0911, I05-1354, W-109595, 3- PROPIONITRILE, C9H16N2, CID61201, NSC18481, C9-H16-N2,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.131g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.241g/mol
Monoisotopic Mass	152.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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