AG000NGA

125290-87-1 | tert-Butyl (3-methylpyrrolidin-3-yl)methylcarbamate

AG000NGA

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CAS Number	125290-87-1
Catalog Number	AG000NGA(AGN-PC-003V9X)
Chemical Name	tert-Butyl (3-methylpyrrolidin-3-yl)methylcarbamate
IUPAC Name	tert-butyl N-[(3-methylpyrrolidin-3-yl)methyl]carbamate
InChI	InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-11(4)5-6-12-7-11/h12H,5-8H2,1-4H3,(H,13,14)
InChI Key	AXCFIJFQUMHJRG-UHFFFAOYSA-N
MDL Number	MFCD12408552
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	O=C(OC(C)(C)C)NCC1(C)CNCC1
Synonyms	125290-87-1, tert-butyl N-[(3-methylpyrrolidin-3-yl)methyl]carbamate, 3-(Boc-aminomethyl)-3-methylpyrrolidine, TERT-BUTYL (3-METHYLPYRROLIDIN-3-YL)METHYLCARBAMATE, 3-(BOC-AMINOMETHYL)-3-METHYL-PYRROLIDINE, tert-Butyl ((3-methylpyrrolidin-3-yl)methyl)carbamate, tert-Butyl [(3-methylpyrrolidin-3-yl)methyl]carbamate, SCHEMBL2274273, DTXSID80568673, AXCFIJFQUMHJRG-UHFFFAOYSA-N, KS-000007CT, MFCD12408552, AKOS015999990, PB16510, AS-36227, DA-13561, CS-0048008, FT-0713778, Q-3102, 3-[(t-butoxycarbonyl)aminomethyl]-3-methylpyrrolidine, Carbamic acid, N-[(3-methyl-3-pyrrolidinyl)methyl]-, 1,1-dimethylethyl ester,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.168g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	214.309g/mol
Monoisotopic Mass	214.168g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

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