AG00D8S9

53871-06-0 | METHYL 1-(DIPHENYLMETHYL)AZETIDINE-3-CARBOXYLATE

AG00D8S9

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CAS Number	53871-06-0
Catalog Number	AG00D8S9(AGN-PC-0KKNIO)
Chemical Name	METHYL 1-(DIPHENYLMETHYL)AZETIDINE-3-CARBOXYLATE
IUPAC Name	methyl 1-benzhydrylazetidine-3-carboxylate
InChI	InChI=1S/C18H19NO2/c1-21-18(20)16-12-19(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChI Key	CNJNDJUSCWVDNF-UHFFFAOYSA-N
MDL Number	MFCD03407521
Molecular Formula	C18H19NO2
Molecular Weight	281.3490
SMILES	O=C(C1CN(C(C2=CC=CC=C2)C3=CC=CC=C3)C1)OC
Synonyms	53871-06-0, Methyl 1-benzhydrylazetidine-3-carboxylate, METHYL 1-(DIPHENYLMETHYL)AZETIDINE-3-CARBOXYLATE, AK-35550, 3-azetidinecarboxylic acid, 1-(diphenylmethyl)-, methyl ester, Q-103142, AC1MC1BZ, SCHEMBL72964, CTK6J0938, DTXSID60374936, CNJNDJUSCWVDNF-UHFFFAOYSA-N, KS-000002XG, ZX-AT015406, AB3920, ANW-45607, CM-013, MFCD03407521, ZINC55168508, AKOS015851362, CHM0078988, CS-W006005, OR18546, PB10248, RP29862, Methyl 1-benzhydrylazetane-3-carboxylate, AM804016, DS-12689, AB0000478, AB1011708, AJ-112696, AX8158041, TC-065794, 4CH-007893, FT-0648192, ST24030850, W6816, 1-(diphenylmethyl)-3-methoxycarbonylazetidine, A-5794, Methyl 1-diphenylmethyl-azetidine-3-carboxylate, 1-benzhydrylazetidin-3-carboxylic acid methyl ester, 1-benzhydrylazetidine-3-carboxylic acid methyl ester, I14-5316, n-benzhydrylazetidine-3-carboxylic acid methyl ester, 1-benzhydryl-azetidine-3-carboxylic acid methyl ester, null, C18H19NO2, CID2759842,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.142g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	281.355g/mol
Monoisotopic Mass	281.142g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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