AG00D9XG

55490-85-2 | 3-(Hexylamino)propionitrile

AG00D9XG

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CAS Number	55490-85-2
Catalog Number	AG00D9XG(AGN-PC-0JSUTQ)
Chemical Name	3-(Hexylamino)propionitrile
IUPAC Name	3-(hexylamino)propanenitrile
InChI	InChI=1S/C9H18N2/c1-2-3-4-5-8-11-9-6-7-10/h11H,2-6,8-9H2,1H3
InChI Key	IBFRLHYBIOCBTE-UHFFFAOYSA-N
MDL Number	MFCD00060315
Molecular Formula	C9H18N2
Molecular Weight	154.2526
SMILES	C(CCCCC)NCCC#N
Synonyms	3-(Hexylamino)propionitrile, 3-(Hexylamino)propanenitrile, 55490-85-2, Propanenitrile,3-(hexylamino)-, Propanenitrile, 3-(hexylamino)-, AC1LBGXE, 3-Hexylaminopropionitrile, 3-(Hexylamino)propanitrile, AC1Q4SE4, SCHEMBL3162476, 3-(Hexylamino)propanenitrile #, CTK5A3707, DTXSID90339674, IBFRLHYBIOCBTE-UHFFFAOYSA-N, ZINC2528070, 5549AE, MFCD00060315, AKOS008963016, FS-3946, VZ26099, CC-12680, DB-021723, TR-033486, FT-0640314, Y-8582, A830672, C-03366, I05-1242, C9H18N2, AR-1E7751, CID557761, 5589-92-4,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.147g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.257g/mol
Monoisotopic Mass	154.147g/mol
Rotatable Bond Count	7
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	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code	\N

Certificate of Analysis

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