AG000SNV

1263374-32-8 | 4-(Aminomethyl)tetrahydro-2h-pyran-4-carbonitrile HCl

AG000SNV

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CAS Number	1263374-32-8
Catalog Number	AG000SNV(AGN-PC-0WNJO9)
Chemical Name	4-(Aminomethyl)tetrahydro-2h-pyran-4-carbonitrile HCl
IUPAC Name	4-(aminomethyl)oxane-4-carbonitrile
InChI	InChI=1S/C7H12N2O/c8-5-7(6-9)1-3-10-4-2-7/h1-5,8H2
InChI Key	WRAFVYHNHMNOCQ-UHFFFAOYSA-N
MDL Number	MFCD19215914
Molecular Formula	C7H12N2O
Molecular Weight	140.1830
SMILES	N#CC1(CN)CCOCC1
Synonyms	4-(aminomethyl)tetrahydro-2H-pyran-4-carbonitrile, 1263374-32-8, 4-(aminomethyl)oxane-4-carbonitrile, SCHEMBL1192219, WRAFVYHNHMNOCQ-UHFFFAOYSA-N, 4-(Aminomethy)oxane-4-carbonitrile, MFCD19215914, ZINC82631508, AKOS006351608, 2H-Pyran-4-carbonitrile,4-(aminomethyl)tetrahydro-, J-005371, 2H-Pyran-4-carbonitrile, 4-(aminomethyl)tetrahydro-,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.095g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.186g/mol
Monoisotopic Mass	140.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	59A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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