Home Aminos (2S)-2-(4-aminobutanamido)-3-(1H-imidazol-4-yl)propanoic acid dihydrochloride

(2S)-2-(4-aminobutanamido)-3-(1H-imidazol-4-yl)propanoic acid dihydrochloride

CAS No.:
1807885-26-2
Catalog Number:
AG01B1MX
Molecular Formula:
C10H18Cl2N4O3
Molecular Weight:
313.1809
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Product Description
Catalog Number:
AG01B1MX
Chemical Name:
(2S)-2-(4-aminobutanamido)-3-(1H-imidazol-4-yl)propanoic acid dihydrochloride
CAS Number:
1807885-26-2
Molecular Formula:
C10H18Cl2N4O3
Molecular Weight:
313.1809
MDL Number:
MFCD28118234
IUPAC Name:
(2S)-2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
InChI:
InChI=1S/C10H16N4O3.2ClH/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7;;/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17);2*1H/t8-;;/m0../s1
InChI Key:
DJOVIMVLCLRGBN-JZGIKJSDSA-N
SMILES:
NCCCC(=O)N[C@H](C(=O)O)Cc1c[nH]cn1.Cl.Cl
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
312.076g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
313.179g/mol
Monoisotopic Mass:
312.076g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties