AG000SOW

1263506-20-2 | 1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-methyl-, 1,1-dimethylethyl ester

AG000SOW

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CAS Number	1263506-20-2
Catalog Number	AG000SOW(AGN-PC-0WAK8O)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-methyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
InChI	InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-6-5-11(4,7-12)8-13/h13H,5-8H2,1-4H3
InChI Key	OMMHAHKCMUUEOY-UHFFFAOYSA-N
MDL Number	MFCD20926173
Molecular Formula	C11H21NO3
Molecular Weight	215.2893
SMILES	O=C(N1CC(C)(CO)CC1)OC(C)(C)C
Synonyms	1263506-20-2, 1-BOC-3-METHYLPYRROLIDINE-3-METHANOL, tert-butyl 3-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate, SCHEMBL320729, OMMHAHKCMUUEOY-UHFFFAOYSA-N, MFCD20926173, AKOS023669962, PB21067, KS-000006W0, AK172180, AS-34415, CS-0048362, Q-1590, tert-Butyl 3-(hydroxymethyl)-3-methyl-pyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-3-methyl-, 1,1-dimethylethyl ester, N-Boc-(3-methyl-3-pyrrolidinyl)methanol, 95% - 1G 1g,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.152g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.293g/mol
Monoisotopic Mass	215.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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