AG00I8P1

477600-70-7 | 3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, (3R,4R)-

AG00I8P1

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CAS Number	477600-70-7
Catalog Number	AG00I8P1(AGN-PC-0OANY3)
Chemical Name	3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, (3R,4R)-
IUPAC Name	(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine
InChI	InChI=1S/C14H22N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14+/m1/s1
InChI Key	NVKDDQBZODSEIN-OCCSQVGLSA-N
MDL Number	MFCD09475548
Molecular Formula	C14H22N2
Molecular Weight	218.3379
SMILES	C(C1=CC=CC=C1)N2CC[C@H]([C@H](C2)NC)C
Synonyms	(3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE, 477600-70-7, cis-1-Benzyl-N,4-dimethylpiperidin-3-amine, MFCD09475548, 477600-69-4, A1-00088, 3-PIPERIDINAMINE, N,4-DIMETHYL-1-(PHENYLMETHYL)-, (3R,4R)-, Tofacitinib Impurity F, AK-29283, Tofacitinib Impurity E, SCHEMBL352022, CTK4J0251, DTXSID70659968, NVKDDQBZODSEIN-OCCSQVGLSA-N, QC-53, KS-000007KV, ANW-52419, MFCD11978163, ZINC34040492, AKOS007930642, AKOS015919918, ACN-025193, CB-1392, CM14193, DS-0688, FCH2823482, FS-2942, LS30281, PB32723, AC-24272, AJ-86665, AN-28178, BR-29283, SC-20075, AB0025048, AB1006556, AX8033740, ST2414289, TR-017553, W6439, A25786, B-1329, (3R,4R)-1-benzyl-N,4-dimethyl-3-piperidinamine, (3R,4R)-1-benzyl-N,4-dimethyl-piperidin-3-amine, J-504320, (3R,4R)-(1-Benzyl-4-methylpiperidin-3-yl)-methylamine, 3-Piperidinamine,N,4-dimethyl-1-(phenylmethyl)-, (3R,4R)-, (3R,4R)-(1-BENZYL-4-METHYL-PIPERIDIN-3-YL)-METHYL-AMINE, null, C14H22N2, 1-benzyl-N,4-dimethylpiperidin-3-amine, -1-Benzyl-N,4-dimethylpiperidin-3-amine, (1-Benzyl-4-methyl-piperidin-3-yl)-methyl-amine, (3S,4S)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE, 1354621-59-2,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	218.178g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.344g/mol
Monoisotopic Mass	218.178g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	15.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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