AG003OFW

1913-12-8 | Boc-L-aspartic acid beta-tert-butyl ester dicyclohexylammonium salt

AG003OFW

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CAS Number	1913-12-8
Catalog Number	AG003OFW(AGN-PC-0QKDON)
Chemical Name	Boc-L-aspartic acid beta-tert-butyl ester dicyclohexylammonium salt
EC Number	217-626-7
IUPAC Name	N-cyclohexylcyclohexanamine;(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI	InChI=1S/C13H23NO6.C12H23N/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,16,17);11-13H,1-10H2/t8-;/m0./s1
InChI Key	OMYRDWOMNDCKEJ-QRPNPIFTSA-N
MDL Number	MFCD00038889
Molecular Formula	C25H46N2O6
Molecular Weight	470.6425
SMILES	C1CCC(CC1)NC1CCCCC1.CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonyms	Boc-Asp(OtBu)-OH.DCHA, 1913-12-8, Boc-Asp(OtBu)-OH DCHA, 4-tert-Butyl N-[(tert-butoxy)carbonyl]-L-aspartate dicyclohexylamine salt, MFCD00038889, boc-l-asp(otbu)-oh (dicyclohexylammonium) salt, N-alpha-t-Butyloxycarbonyl-L-aspartic acid beta-t-butyl ester dicyclohexylamine, AK-85718, boc-l-asp(otbu)-oh dcha, Boc-Asp(OtBu)-OH inverted exclamation mark currencyDCHA, SCHEMBL3311032, C13H23NO6.C12H23N, EINECS 217-626-7, CB-329, KS-00000F91, DS-18100, AX8105482, Boc-Asp(OtBu)-OH dicyclohexylammonium salt, ST24046202, C-50745, Boc-L-Asp(OtBu)-OH dicyclohexylamine salt (1:1), n-t-boc-l-aspartic acid beta-t-butyl ester dicyclohexylammonium salt, n-alpha-t-boc-l-aspartic acid beta-t-butyl ester dicyclohexylammonium salt, n-tert-boc-l-aspartic acid beta-tert-butyl ester dicyclohexylammonium salt, (2S)-4-(tert-butoxy)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid; dicha, dicyclohexylamine (S)-4-tert-butoxy-2-(tert-butoxycarbonylamino)-4-oxobutanoate, n-alpha-t-butoxycarbonyl-l-aspartic acid beta-t-butyl ester dicyclohexylammonium salt, N-alpha-t-Butyloxycarbonyl-L-aspartic acid beta-t-butylester dicyclohexylamine, n-alpha-tert-butyloxycarbonyl-l-aspartic acid beta-tert-butyl ester dicyclohexylamine, 4-tert-Butyl hydrogen N-((tert-butoxy)carbonyl)-L-aspartate, compound with dicyclohexylamine (1:1), Boc-Asp(OtBu)-OHCHA, Boc-d-asp(otbu)-oh.dcha, Boc-Asp(OtBu)-OH.DCHA - 5G 5g, W-107734, 200334-95-8,

Complexity	493
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	470.336g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	470.651g/mol
Monoisotopic Mass	470.336g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	114A^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	P261-P305+P351+P338
UN Code

Certificate of Analysis

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