AG00ABCO

170367-69-8 | (R)-3-Boc-amino-butylamine

AG00ABCO

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CAS Number	170367-69-8
Catalog Number	AG00ABCO(AGN-PC-0O4TJO)
Chemical Name	(R)-3-Boc-amino-butylamine
IUPAC Name	tert-butyl N-[(2R)-4-aminobutan-2-yl]carbamate
InChI	InChI=1S/C9H20N2O2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m1/s1
InChI Key	JOFFSNZHLGGAJC-SSDOTTSWSA-N
MDL Number	MFCD06804538
Molecular Formula	C9H20N2O2
Molecular Weight	188.2673
SMILES	O=C(OC(C)(C)C)N[C@@H](CCN)C
Synonyms	170367-69-8, (R)-3-BOC-AMINO-BUTYLAMINE, (R)-tert-Butyl (4-aminobutan-2-yl)carbamate, (R)-3-Boc-aminobutylamine, (R)-3-(Boc-amino)butanamine, tert-butyl (R)-(4-aminobutan-2-yl)carbamate, TERT-BUTYL N-[(2R)-4-AMINOBUTAN-2-YL]CARBAMATE, SCHEMBL86310, CTK0A8185, JOFFSNZHLGGAJC-SSDOTTSWSA-N, ANW-68843, FCH854549, MFCD06804538, ZINC34541031, AJ-89190, AK-60104, AX8027739, TC-065855, TC-157588, (R)-tert-butyl(4-aminobutan-2-yl)carbamate, FT-0657053, J1285, Z5682, K-5257, 367B698, I14-5286, J-010617, 1,1-dimethylethyl [(1R)-3-amino-1-methylpropyl]carbamate, Carbamic acid, [(1R)-3-amino-1-methylpropyl]-, 1,1-dimethylethyl ester, R-3-N-Boc-butane-1,3-diamine, C9H20N2O2, Carbamic acid, [(1R)-3-amino-1-methylpropyl]-, 1,1-dimethylethyl ester (9CI),

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	188.152g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	188.271g/mol
Monoisotopic Mass	188.152g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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Certificate of Analysis

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