AG000N0R

1250444-03-1 | Cyclobutanemethanamine, 3,3-difluoro-N-methyl-, hydrochloride (1:1)

AG000N0R

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CAS Number	1250444-03-1
Catalog Number	AG000N0R(AGN-PC-0WAJYV)
Chemical Name	Cyclobutanemethanamine, 3,3-difluoro-N-methyl-, hydrochloride (1:1)
IUPAC Name	1-(3,3-difluorocyclobutyl)-N-methylmethanamine;hydrochloride
InChI	InChI=1S/C6H11F2N.ClH/c1-9-4-5-2-6(7,8)3-5;/h5,9H,2-4H2,1H3;1H
InChI Key	KKUOQRRUERFEIK-UHFFFAOYSA-N
MDL Number	MFCD16987777
Molecular Formula	C6H12ClF2N
Molecular Weight	171.6160
SMILES	CNCC1CC(F)(F)C1.[H]Cl
Synonyms	1250444-03-1, 1-(3,3-Difluorocyclobutyl)-N-methylmethanamine hydrochloride, (3,3-Difluorocyclobutyl)-N-methylmethanamine HCl, (3,3-DIFLUOROCYCLOBUTYL)-N-METHYLMETHANAMINE HYDROCHLORIDE, [(3,3-DIFLUOROCYCLOBUTYL)METHYL](METHYL)AMINE HYDROCHLORIDE, KS-000008ND, MFCD16987777, AKOS025291358, PB28622, AK171954, AS-34970, PC420015, CS-0053058, Q-2961, F2147-4257, 1-(3,3-Difluorocyclobutyl)-N-methyl-methanamine hydrochloride, 1-(3,3-difluorocyclobutyl)-N-methylmethanamine;hydrochloride, (3,3-Difluorocyclobutyl)-n-methylmethanamine hydrochloride, AldrichCPR, Cyclobutanemethanamine, 3,3-difluoro-N-methyl-, hydrochloride (1:1),

Complexity	95.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.063g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	171.616g/mol
Monoisotopic Mass	171.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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