AG000ASX

114214-71-0 | 1-Pyrrolidinecarboxylic acid, 3-methylene-, 1,1-dimethylethyl ester

AG000ASX

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CAS Number	114214-71-0
Catalog Number	AG000ASX(AGN-PC-00OTJE)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-methylene-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-methylidenepyrrolidine-1-carboxylate
InChI	InChI=1S/C10H17NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h1,5-7H2,2-4H3
InChI Key	PXTONRTYYUAUJU-UHFFFAOYSA-N
MDL Number	MFCD12407903
Molecular Formula	C10H17NO2
Molecular Weight	183.2475
SMILES	CC(C)(C)OC(=O)N1CCC(=C)C1
Synonyms	114214-71-0, tert-butyl 3-methylenepyrrolidine-1-carboxylate, tert-butyl 3-methylidenepyrrolidine-1-carboxylate, 1-Boc-3-methylenepyrrolidine, 1-Pyrrolidinecarboxylic acid, 3-methylene-, 1,1-dimethylethyl ester, 1-BOC-3-METHYLENE-PYRROLIDINE, 3-Methylene-pyrrolidine-1-carboxylic acid tert-butyl ester, ACMC-20aq2c, AMOT0330, SCHEMBL1063509, SCHEMBL8253350, 1-N-Boc-3-methylenepyrrolidine, CTK0G1039, DTXSID20571121, PXTONRTYYUAUJU-UHFFFAOYSA-N, 2362AA, MFCD12407903, ZINC33359021, AKOS015841217, AN-4587, CB-3770, PB15089, RL00555, KS-0000077V, 1-t-butoxycarbonyl-3-methylenepyrrolidine, AJ-85895, AM802951, AS-42461, SY097967, AB0083062, TC-063267, CS-0048277, FT-0651772, ST24049825, MFCD12407903 (95%), Q-1562, A803151, J-524560, S11-0024, 3-methylene-1-pyrrolidinecarboxylic acid tert-butyl ester, 3-Methylene pyrrolidine-1-carboxylic acid tert-butyl ester, C10H17NO2, tert-Butyl3-methylenepyrrolidine-1-carboxylate,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.126g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.251g/mol
Monoisotopic Mass	183.126g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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