AG00ICMJ

7536-55-2 | Boc-(s)-2-aminosuccinic acid 4-amide monohydrate

AG00ICMJ

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CAS Number	7536-55-2
Catalog Number	AG00ICMJ(AGN-PC-0WACN4)
Chemical Name	Boc-(s)-2-aminosuccinic acid 4-amide monohydrate
EC Number	231-405-2
IUPAC Name	(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI	InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1
InChI Key	FYYSQDHBALBGHX-YFKPBYRVSA-N
MDL Number	MFCD00038152
Molecular Formula	C9H16N2O5
Molecular Weight	232.2337
SMILES	[C@@H](NC(OC(C)(C)C)=O)(C(=O)O)CC(=O)N
Synonyms	Boc-Asn-OH, 7536-55-2, Boc-L-asparagine, tert-Butoxycarbonylasparagine, Boc-Asn, N-(tert-Butoxycarbonyl)-L-asparagine, tert-Butoxycarbonyl-L-asparagine, N-(tert-Butoxycarbonyl)asparagine, tert-Butyloxycarbonyl-L-asparagine, N-alpha-Boc-L-asparagine, Nalpha-(tert-Butoxycarbonyl)-L-asparagine, N(a)-tert-Butoxycarbonyl-L-asparagine, N(2)-tert-Butoxycarbonyl-L-asparagine, BOC-ASPARAGINE, MFCD00038152, N2-((1,1-Dimethylethoxy)carbonyl)-L-asparagine, Boc-L-Asn-OH, Asparagine, N(2)-carboxy-, N(2)-tert-butyl ester, L-, CHEBI:3146, N-alpha-t-BOC-L-ASPARAGINE, FYYSQDHBALBGHX-YFKPBYRVSA-N, L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-, 2-tert-Butoxycarbonylamino-succinamic acid, N2-[(1,1-Dimethylethoxy)carbonyl]-L-asparagine, L-Asparagine, N2-((1,1-dimethylethoxy)carbonyl)-, J-300046, Q-101639, N-alpha-BOC-L-Asparagine, 99%, N2-((tert-Butoxy)carbonyl)-L-asparagine, (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid, BocAsnOH, AK-45988, EINECS 231-405-2, n2-(tert-butoxycarbonyl)-l-asparagine, Boc- Asn-OH, NSC 154980, N-a-t-Boc-asparagine, PubChem11148, AC1Q1MRN, AC1Q1MRO, AC1Q5XNF, N-BOC-L-ASPARAGINE, SCHEMBL607848, AC1L32M3, CHEMBL1222167, CTK7G8916, N-tert-butoxycarbonyl-L-asparagine, ACT08851, ALBB-028188, ZINC1529193, N-tert-butyloxycarbonyl-L-asparagine, ANW-36602, STL466184, AKOS012536057, AKOS015922890, AB01704, AC-8608, AN-7864, Boc-Asn-OH, >=98.5% (T), CS-W019494, FCH5442960, MCULE-8257580995, N(alpha)-t-butoxycarbonyl-L-asparagine, N-T-BUTOXYCARBONYL-L-ASPARAGINE, RTR-033479, AJ-26575, BBV-37826544, BR-45988, C195, CC-24974, DS-13747, N(2)-(tert-butoxycarbonyl)-L-asparagine, N~2~-(tert-butoxycarbonyl)-L-asparagine, SC-25700, AB1002261, AX8008506, ST2419168, AM20100735, FT-0629994, ST50307208, C01410, EN300-186646, L-1852, N-[(1,1-dimethylethoxy)carbonyl]-L-asparagine, N-ALPHA-T-BUTYLOXYCARBONYL-L-ASPARAGINE, 536B552, C-13569, L-Asparagine, N(2)-[(1,1-dimethylethoxy)carbonyl]-, L-asparagine, N~2~-[(1,1-dimethylethoxy)carbonyl]-, Boc-L-asparagine; N|A-(tert-Butoxycarbonyl)-L-asparagine, (2S)-2-[(tert-butoxy)carbonylamino]-3-carbamoylpropanoic acid, (2S)-4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoic acid, (S)-4-AMINO-2-(TERT-BUTOXYCARBONYLAMINO)-4-OXOBUTANOIC ACID, Boc-D-asparagine, Nalpha-Boc-L-asparagine, C9H16N2O5, CID82035, AR-1K5509, C9-H16-N2-O5, ACN-033026, CB10650, Boc-L-asparagine, 99% - 25G 25g, N2-[(tert-butoxy)carbonyl]-L-asparagine, A7347, B1627, 75647-01-7, (S)-4-Amino-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid; N-Boc-L-asparagine; N2-tert-Butoxycarbonyl-L-asparagine, 34176-49-3,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	232.106g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	232.236g/mol
Monoisotopic Mass	232.106g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number