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117152-70-2 | 1,4,8,11-Tetraazacyclotetradecane-1,8-diacetic acid
CAS No: 117152-70-2 Catalog No: AG000DTM MDL No:
Product Description
Catalog Number:
AG000DTM
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane-1,8-diacetic acid
CAS Number:
117152-70-2
Molecular Formula:
C14H28N4O4
Molecular Weight:
316.3965
IUPAC Name:
2-[8-(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
InChI:
InChI=1S/C14H28N4O4/c19-13(20)11-17-7-1-3-15-5-10-18(12-14(21)22)8-2-4-16-6-9-17/h15-16H,1-12H2,(H,19,20)(H,21,22)
InChI Key:
VGCOGXWEJYLXMQ-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCNCCCN(CCNCCC1)CC(=O)O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.211g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
316.402g/mol
Monoisotopic Mass:
316.211g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4
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