AG00EPAD

63618-07-5 | 3-Azabicyclo[3.1.0] hexane-1-carboxylic acid, 3-(phenylMethyl)-, ethyl ester

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CAS Number	63618-07-5
Catalog Number	AG00EPAD(AGN-PC-0T9BJZ)
Chemical Name	3-Azabicyclo[3.1.0] hexane-1-carboxylic acid, 3-(phenylMethyl)-, ethyl ester
IUPAC Name	ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
InChI	InChI=1S/C15H19NO2/c1-2-18-14(17)15-8-13(15)10-16(11-15)9-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChI Key	UFLBURFPRRPJQT-UHFFFAOYSA-N
MDL Number	MFCD22566243
Molecular Formula	C15H19NO2
Molecular Weight	245.3169
SMILES	O=C(C12CN(CC3=CC=CC=C3)CC1C2)OCC
Synonyms	ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate, 63618-07-5, 3-azabicyclo[3.1.0]hexane-1-carboxylic acid, 3-(phenylmethyl)-, ethyl ester, SCHEMBL3228019, UFLBURFPRRPJQT-UHFFFAOYSA-N, MFCD22566243, PB17012, KS-0000074K, AK172306, AS-34524, ST1080471, CS-0051528, EN300-86090, Q-1677, 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid ethyl ester, 3-Azabicyclo[3.1.0] hexane-1-carboxylic acid, 3-(phenylMethyl)-, ethyl ester,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.142g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.322g/mol
Monoisotopic Mass	245.142g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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