AG00396U

25691-37-6 | Boc-L-2,4-diaminobutyric acid

AG00396U

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CAS Number	25691-37-6
Catalog Number	AG00396U(AGN-PC-0O8BOI)
Chemical Name	Boc-L-2,4-diaminobutyric acid
IUPAC Name	(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChI Key	MDCPCLPRWLKUIQ-LURJTMIESA-N
MDL Number	MFCD00236841
Molecular Formula	C9H18N2O4
Molecular Weight	218.2502
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CCN
Synonyms	25691-37-6, Boc-L-2,4-diaminobutyric acid, Boc-Dab-OH, (S)-4-Amino-2-((tert-butoxycarbonyl)amino)butanoic acid, (S)-4-Amino-2-(tert-butoxycarbonylamino)butanoic acid, MFCD00236841, BUTANOIC ACID, 4-AMINO-2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, (2S)-, AK-44613, SCHEMBL303955, CTK8C6821, Boc-Dab-OH, >=97.0%, DTXSID70427149, MDCPCLPRWLKUIQ-LURJTMIESA-N, Na-Boc-L-2,4-diaminobutyric acid, ACT04327, ZINC2560677, FD1076, N|A-Boc-L-2,4-diaminobutyric acid, N-|A-Boc-L-2,4-Diaminobutyric acid, AB05403, CS-W019805, FCH3645801, GS-3804, KS-000000L1, N2-Boc-(S)-2,4-diamino-butanoic acid, (S)-4-Amino-2-(Boc-amino)butyric Acid, (S)-Nalpha-Boc-2,4-diaminobutyric Acid, AJ-40616, SC-10148, AB0068622, AX8032905, ST2414642, FT-0649854, N-BOC-(S)-2,4-DIAMINO-BUTANOIC ACID, B64619, M-8042, 691B376, (S)-4-Amino-2-(tert-butoxycarbonylamino)butyric Acid, (S)-4-amino-2-tert-butyloxycarbonylaminobutyric acid, (5)-4-amino-2-(tert-butoxycarbonylarnino)butanoic acid, (S)-4-amino-2-(tert-butoxycarbonylamino) butanoic acid, (S)-4-Amino-2-(tert-butyloxycarbonylamino)butyric acid, (2S)-4-amino-2-{[(tert-butoxy)carbonyl]amino}butanoic acid, N-ALPHA-T-BUTYLOXYCARBONYL-L-2,4-DIAMINOBUTYRIC ACID, (2S)-4-AMINO-2-[(TERT-BUTOXYCARBONYL)AMINO]BUTANOIC ACID, (2S)-4-Amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]butanoic acid, (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid, ACN-033823, CB11964, CID7019666, A2515, N-ALPHA-BOC-L-2,4-DIAMINOBUTYRIC ACID, (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	218.127g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	218.253g/mol
Monoisotopic Mass	218.127g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

Lot Number