AG00BYY2

351360-61-7 | (4-PHENYLPYRROLIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER

AG00BYY2

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CAS Number	351360-61-7
Catalog Number	AG00BYY2(AGN-PC-0O97P7)
Chemical Name	(4-PHENYLPYRROLIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER
IUPAC Name	tert-butyl N-[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamate
InChI	InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-10-16-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)/t12-,13+/m0/s1
InChI Key	OQKMVLIVAWGYRD-QWHCGFSZSA-N
MDL Number	MFCD09755982
Molecular Formula	C15H22N2O2
Molecular Weight	262.3474
SMILES	O=C(OC(C)(C)C)N[C@H]1CNC[C@@H]1[C@]2=CC=CC=C2
Synonyms	351360-61-7, tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate, tert-Butyl ((3S,4R)-4-phenylpyrrolidin-3-yl)carbamate, trans-3-N-Boc-Amino-4-phenylpyrrolidine, 1383784-29-9, tert-Butyl (trans-4-phenylpyrrolidin-3-yl)carbamate, tert-butyl N-[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamate, Tert-Butyl [(3S,4R)-4-Phenylpyrrolidin-3-Yl]Carbamate, OQKMVLIVAWGYRD-QWHCGFSZSA-N, AC1Q1MTA, SCHEMBL15717069, CTK1C0715, 7802AH, MFCD03002043, ZINC14806834, AKOS015995012, AB51542, LS30163, RP29347, SB12139, AJ-65378, DB-069146, ST24049393, (3S,4R)-3-(Boc-amino)-4-phenylpyrrolidine, K-7977, 360P617, tert-butyl trans-4-phenylpyrrolidin-3-ylcarbamate, Trans-tert-butyl-4-phenylpyrrolidin-3-ylcarbamate, J-524362, trans-3-Amino-4-phenylpyrrolidine, 3-BOC protected, Tert-butyl -(3S,4R)-4-phenylpyrrolidin-3-ylcarbaMate, (+/-)-trans-3-Amino-4-phenylpyrrolidine, 3-BOC protected, (+/-)-trans-tert-Butyl (4-phenylpyrrolidin-3-yl)carbamate, (4-Phenylpyrrolidin-3-yl)-carbamic Acid tert-Butyl Ester, tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate, AldrichCPR, trans-(4-Phenyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester, C15H22N2O2, CB11884, (4-Phenyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester, (4-PHENYLPYRROLIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	262.168g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	262.353g/mol
Monoisotopic Mass	262.168g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3259

Certificate of Analysis

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