AG001GTH

1416450-63-9 | Carbamic acid, N-(3R)-3-pyrrolidinyl-, 1,1-dimethylethyl ester, hydrochloride (1:1)

AG001GTH

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CAS Number	1416450-63-9
Catalog Number	AG001GTH(AGN-PC-0WBRM6)
Chemical Name	Carbamic acid, N-(3R)-3-pyrrolidinyl-, 1,1-dimethylethyl ester, hydrochloride (1:1)
IUPAC Name	tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
InChI	InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-7-4-5-10-6-7;/h7,10H,4-6H2,1-3H3,(H,11,12);1H/t7-;/m1./s1
InChI Key	UYIZWZJKNFDMPB-OGFXRTJISA-N
MDL Number	MFCD11101390
Molecular Formula	C9H19ClN2O2
Molecular Weight	222.7124
SMILES	O=C(OC(C)(C)C)N[C@H]1CNCC1.[H]Cl
Synonyms	1416450-63-9, (R)-3-(Boc-amino)pyrrolidine HCl, tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate hydrochloride, (R)-tert-Butyl pyrrolidin-3-ylcarbamate hydrochloride, (R)-3-(BOC-AMINO)PYRROLIDINE HYDROCHLORIDE, R-3-BOC-AMINO PYRROLIDINE-HCl, PubChem11288, MFCD11101390, AKOS015923387, PB13355, SB10133, KS-000002Y5, AK170590, AS-33447, CS-0048006, Q-1056, tert-Butyl (3R)-3-pyrrolidinylcarbamate hydrochloride, Carbamic acid, N-(3R)-3-pyrrolidinyl-, 1,1-dimethylethyl ester, hydrochloride (1:1), (R)-3-(Boc-amino)pyrrolidine, 122536-77-0,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	222.114g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	222.713g/mol
Monoisotopic Mass	222.114g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

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