AG0018OS

138374-00-2 | Carbamic acid, [1-(aminomethyl)propyl]-, 1,1-dimethylethyl ester, monohydrochloride (9CI)

AG0018OS

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CAS Number	138374-00-2
Catalog Number	AG0018OS(AGN-PC-0PMMSW)
Chemical Name	Carbamic acid, [1-(aminomethyl)propyl]-, 1,1-dimethylethyl ester, monohydrochloride (9CI)
IUPAC Name	tert-butyl N-(1-aminobutan-2-yl)carbamate;hydrochloride
InChI	InChI=1S/C9H20N2O2.ClH/c1-5-7(6-10)11-8(12)13-9(2,3)4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H
InChI Key	SQWCEASKECSUOE-UHFFFAOYSA-N
MDL Number	MFCD11112243
Molecular Formula	C9H21ClN2O2
Molecular Weight	224.7282
SMILES	CCC(CN)NC(OC(C)(C)C)=O.Cl
Synonyms	138374-00-2, 2-N-Boc-butane-1,2-diamine-HCl, tert-Butyl (1-aminobutan-2-yl)carbamate hydrochloride, 2-N-Boc-Butane-1,2-diamine hydrochloride, SCHEMBL1459125, CTK8E1457, DTXSID50662576, MFCD11112243, AKOS015846637, AK-42137, AS-49565, AB0000873, ST2402026, AM20080283, FT-0084225, FT-0660204, W3017, B-1825, EN300-243932, tert-Butyl (1-aminobutan-2-yl)carbamate--hydrogen chloride (1/1), Carbamic acid, [1-(aminomethyl)propyl]-, 1,1-dimethylethyl ester, monohydrochloride (9CI), C9H21ClN2O2,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.129g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	224.729g/mol
Monoisotopic Mass	224.129g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

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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