N-(4-NITROBENZOYL)-L-GLUTAMIC ACID HEMIHYDRATE

CAS No.
6758-40-3
CCD No.
CCD00073832
Formula
C12 H12 N2 O7 . H2 O
MolWeight
314.249

Basic Information

Product Name: N-(4-NITROBENZOYL)-L-GLUTAMIC ACID HEMIHYDRATE
CAS: 6758-40-3
English Synonyms: L-GLUTAMIC ACID,N-(4-NITROBENZOYL)- ; N-(4-NITROBENZOYL)-L-GLUTAMIC ACID HEMIHYDRATE
MDL Number.: MFCD00149508
H bond acceptor: 9
H bond donor: 3
Smile: c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N+](=O)[O-].O
InChi: InChI=1S/C12H12N2O7.H2O/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21;/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19);1H2/t9-;/m0./s1
InChiKey: InChIKey=WJISEKQTKJGQCR-FVGYRXGTSA-N

Property

Melting Point: 111-118 DEG C
Comments: EINECS: 229-820-9
HAZARD: S24/25
OPTICAL ROTATION: +15 DEG, C=2,0.1N NAOH
TSCA: N

Safety information

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