AG0003LO

1010446-31-7 | 1-Pyrrolidinecarboxylic acid, 3-(1-piperazinyl)-, 1,1-dimethylethyl ester, (3S)-

AG0003LO

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CAS Number	1010446-31-7
Catalog Number	AG0003LO(AGN-PC-0WAJ4M)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-(1-piperazinyl)-, 1,1-dimethylethyl ester, (3S)-
IUPAC Name	tert-butyl (3S)-3-piperazin-1-ylpyrrolidine-1-carboxylate
InChI	InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-7-4-11(10-16)15-8-5-14-6-9-15/h11,14H,4-10H2,1-3H3/t11-/m0/s1
InChI Key	HCNFKJFDUHUDTA-NSHDSACASA-N
MDL Number	MFCD18633366
Molecular Formula	C13H25N3O2
Molecular Weight	255.3565
SMILES	O=C(N1C[C@@H](N2CCNCC2)CC1)OC(C)(C)C
Synonyms	1010446-31-7, (S)-TERT-BUTYL 3-(PIPERAZIN-1-YL)PYRROLIDINE-1-CARBOXYLATE, AK141536, (S)-1-N-Boc-3-(piperazin-1-yl)pyrrolidine, SCHEMBL640812, KS-00000RUV, HCNFKJFDUHUDTA-NSHDSACASA-N, MFCD18633366, ZINC65336807, AKOS007930573, CB-2037, DS-7288, FCH3606955, AJ-114882, AX8281699, FT-0771938, B-1375, (S)-3-piperazin-1-yl-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 3-(1-piperazinyl)-, 1,1-dimethylethyl ester, (3S)-, (S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	255.195g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.362g/mol
Monoisotopic Mass	255.195g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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