AG0033US

1054314-53-2 | 4,4-DIFLUOROCYCLOHEXANEETHANAMINE

AG0033US

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CAS Number	1054314-53-2
Catalog Number	AG0033US(AGN-PC-0WA9PF)
Chemical Name	4,4-DIFLUOROCYCLOHEXANEETHANAMINE
IUPAC Name	2-(4,4-difluorocyclohexyl)ethanamine
InChI	InChI=1S/C8H15F2N/c9-8(10)4-1-7(2-5-8)3-6-11/h7H,1-6,11H2
InChI Key	GNHDMWBANSWSNL-UHFFFAOYSA-N
MDL Number	MFCD13189567
Molecular Formula	C8H15F2N
Molecular Weight	163.2082
SMILES	FC1(CCC(CC1)CCN)F
Synonyms	4,4-DIFLUOROCYCLOHEXANEETHANAMINE, 1054314-53-2, 2-(4,4-DIFLUOROCYCLOHEXYL)ETHANAMINE, C8H15F2N, SCHEMBL19555539, KS-000009JV, 6024AJ, MFCD13189567, ZINC90609066, AKOS022187158, AB68667, TRA-0201178, AS-32058, SY021895, AJ-129013, TC-307582, Z-4648, MFCD13189567 (97+%), 2-(4,4-DIFLUOROCYCLOHEXYL)ETHAN-1-AMINE, 136236-51-6,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.117g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.212g/mol
Monoisotopic Mass	163.117g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1760

Certificate of Analysis

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