AG00HCDD

112257-42-8 | 1-CBZ-3-(BOC-AMINO)AZETIDINE

AG00HCDD

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CAS Number	112257-42-8
Catalog Number	AG00HCDD(AGN-PC-0P36PT)
Chemical Name	1-CBZ-3-(BOC-AMINO)AZETIDINE
IUPAC Name	benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carboxylate
InChI	InChI=1S/C16H22N2O4/c1-16(2,3)22-14(19)17-13-9-18(10-13)15(20)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,19)
InChI Key	OIQHSGKNZYLTPQ-UHFFFAOYSA-N
MDL Number	MFCD26959120
Molecular Formula	C16H22N2O4
Molecular Weight	306.3569
SMILES	CC(C)(C)OC(=O)NC1CN(C1)C(=O)OCC1=CC=CC=C1
Synonyms	112257-42-8, Benzyl 3-((tert-butoxycarbonyl)amino)azetidine-1-carboxylate, benzyl 3-{[(tert-butoxy)carbonyl]amino}azetidine-1-carboxylate, 1-Cbz-3-(boc-amino)azetidine, Benzyl 3-[(tert-butoxycarbonyl)amino]azetidine-1-carboxylate, SCHEMBL2821598, OIQHSGKNZYLTPQ-UHFFFAOYSA-N, ZINC96372371, AKOS025290949, benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carboxylate, DS-7599, SB11501, AK170965, 1-Cbz-3-(Boc-amino)azetidine, AldrichCPR, CS-0049847, 1-Azetidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-,phenylmethyl ester,

Complexity	393
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.157957g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	306.36g/mol
Monoisotopic Mass	306.157957g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	67.9Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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