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1974-67-0 | Guanidine, 1-benzyl-1-ethyl-, tartrate (7CI,8CI)
CAS No: 1974-67-0 Catalog No: AG002ATB MDL No:
Product Description
Catalog Number:
AG002ATB
Chemical Name:
Guanidine, 1-benzyl-1-ethyl-, tartrate (7CI,8CI)
CAS Number:
1974-67-0
Molecular Formula:
C14H21N3O6
Molecular Weight:
327.3330
IUPAC Name:
1-benzyl-1-ethylguanidine;(2R,3R)-2,3-dihydroxybutanedioic acid
InChI:
InChI=1S/C10H15N3.C4H6O6/c1-2-13(10(11)12)8-9-6-4-3-5-7-9;5-1(3(7)8)2(6)4(9)10/h3-7H,2,8H2,1H3,(H3,11,12);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChI Key:
JAKJLNKFKJOVIW-LREBCSMRSA-N
SMILES:
OC(C(C(=O)O)O)C(=O)O.CCN(C(=N)N)Cc1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
327.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
327.337g/mol
Monoisotopic Mass:
327.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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