AG000ASW

114214-73-2 | 1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-3-hydroxy-, 1,1-dimethylethyl ester

AG000ASW

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CAS Number	114214-73-2
Catalog Number	AG000ASW(AGN-PC-0P5ZYD)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-3-hydroxy-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
InChI	InChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-5-4-10(14,6-11)7-12/h14H,4-7,11H2,1-3H3
InChI Key	MCGDVVXFTUKWNU-UHFFFAOYSA-N
MDL Number	MFCD18917057
Molecular Formula	C10H20N2O3
Molecular Weight	216.2774
SMILES	NCC1(CN(CC1)C(=O)OC(C)(C)C)O
Synonyms	114214-73-2, tert-butyl 3-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate, 1-BOC-3-(AMINOMETHYL)-3-HYDROXYPYRROLIDINE, TERT-BUTYL 3-(AMINOMETHYL)-3-HYDROXY-1-PYRROLIDINECARBOXYLATE, 1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-3-hydroxy-, 1,1-dimethylethyl ester, SCHEMBL9773945, CTK7E3914, MFCD18917057, AKOS022185642, PB31931, KS-0000077J, AS-34553, ST1271441, AM20080087, CS-0048376, Q-1523,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.147g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	216.281g/mol
Monoisotopic Mass	216.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

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