AG000X5F

127531-11-7 | D-2,4-Diaminobutyric acid DiHCl

AG000X5F

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CAS Number	127531-11-7
Catalog Number	AG000X5F(AGN-PC-0PIKAG)
Chemical Name	D-2,4-Diaminobutyric acid DiHCl
IUPAC Name	(2R)-2,4-diaminobutanoic acid;dihydrochloride
InChI	InChI=1S/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H/t3-;;/m1../s1
InChI Key	CKAAWCHIBBNLOJ-HWYNEVGZSA-N
MDL Number	MFCD00236954
Molecular Formula	C4H12Cl2N2O2
Molecular Weight	191.0563
SMILES	O=C(O)[C@H](N)CCN.[H]Cl.[H]Cl
Synonyms	127531-11-7, (r)-2,4-diaminobutanoic acid dihydrochloride, D-Dab.2hydrochloride, D-Dab.2HCl, H-D-Dab-OH.2HCl, D-2,4-Diaminobutyric acid dihydrochloride, H-D-Dab-OH hydrochloride salt, (R)-2,4-Diaminobutyric acid dihydrochloride, H-D-Dab-OH, 6970-28-1, D-Dab?HCl, CTK8B7813, Butanoic acid, 2,4-diamino-, dihydrochloride, (R)- (9CI), D-2,4-Diaminobutyric acid DiHCl, KS-00000Z2G, ANW-58679, CD-065, FD1070, KM1299, MFCD00236954, AKOS015892686, AC-5661, CS-W005155, FS-4926, D-2,4-DIAMINOBUTYRIC ACID 2HCL, AK-77472, AX8031696, TC-147424, FT-0655553, ST24035192, (2R)-2,4-Diaminobutanoic acid dihydrochloride, 908D941, C-08211, -2,4-Diaminobutyricaciddihydrochloride, 26908-94-1, ACN-047883, L-2,4-Diaminobutyric acid dihydrochloride, A7493, Butanoic acid, 2,4-diamino-, dihydrochloride, D-Dab inverted exclamation mark currency2HCl;D-2,4-Diaminobutyric acid dihydrochloride, 1883-09-6,

Complexity	84.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	190.028g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	191.052g/mol
Monoisotopic Mass	190.028g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

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