Formula |
C9H15ClN4O5 |
IUPAC Name |
(2s)-2-[[(2s)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoyl]amino]propanoic acid |
Molecular Mass |
294.692 g·mol−1 |
Heat of Formation |
-812.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.46 ± 1.08 D |
Volume |
330.27 Å 3 |
Surface Area |
308.78 Å 2 |
HOMO Energy |
-10.35 ± 0.55 eV |
LUMO Energy |
-0.64 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2s)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoyl]amino]propanoic acid
- (2s)-2-[[(2s)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoyl]amino]propionic acid
- (2s)-2-[[(2s)-2-[[(2-chloroethyl-nitrosoamino)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid
- chloroethylnitrosocarbamoyl-alanyl-alanine
- cnc-ala-ala
- cnc-alanylalanine
- l-alanine, n-(n-(((2-chloroethyl)nitrosoamino)carbonyl)-l-alanyl)-
- n-(n-(((2-chloroethyl)nitrosoamino)carbonyl)-l-alanyl)-l-alanine
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CAS Number(s) |
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InChIKey |
ORIIFNMRPNZKHW-WDSKDSINSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
N
O
Cl
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