AG00HWWT

1434141-95-3 | 3-(Boc-amino)-4,4-difluoropyrrolidine

AG00HWWT

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CAS Number	1434141-95-3
Catalog Number	AG00HWWT(AGN-PC-0WD133)
Chemical Name	3-(Boc-amino)-4,4-difluoropyrrolidine
IUPAC Name	tert-butyl N-(4,4-difluoropyrrolidin-3-yl)carbamate
InChI	InChI=1S/C9H16F2N2O2/c1-8(2,3)15-7(14)13-6-4-12-5-9(6,10)11/h6,12H,4-5H2,1-3H3,(H,13,14)
InChI Key	AYPWPGOPAZUJDF-UHFFFAOYSA-N
MDL Number	MFCD26959094
Molecular Formula	C9H16F2N2O2
Molecular Weight	222.2323
SMILES	O=C(OC(C)(C)C)NC1CNCC1(F)F
Synonyms	1434141-95-3, 3-(Boc-amino)-4,4-difluoropyrrolidine, tert-Butyl (4,4-difluoropyrrolidin-3-yl)carbamate, tert-butyl N-(4,4-difluoropyrrolidin-3-yl)carbamate, tert-butyl 4,4-difluoropyrrolidin-3-ylcarbamate, MFCD26959094, AKOS024154004, FCH2421578, SB11013, AK170367, AS-33897, CS-0048070, KS-00000483, F2147-3923, tert-Butyl N-[(3R)-4,4-difluoropyrrolidin-3-yl]carbamate, tert-Butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate, 2165991-49-9, 2166050-86-6,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.118g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.236g/mol
Monoisotopic Mass	222.118g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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