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68631-00-5 | ethane-1,2-diamine; formaldehyde; 2-nonylphenol
CAS No: 68631-00-5 Catalog No: AG006I2R MDL No:
Product Description
Catalog Number:
AG006I2R
Chemical Name:
ethane-1,2-diamine; formaldehyde; 2-nonylphenol
CAS Number:
68631-00-5
Molecular Formula:
C18H34N2O2
Molecular Weight:
310.4748
IUPAC Name:
ethane-1,2-diamine;formaldehyde;2-nonylphenol
InChI:
InChI=1S/C15H24O.C2H8N2.CH2O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;3-1-2-4;1-2/h9-10,12-13,16H,2-8,11H2,1H3;1-4H2;1H2
InChI Key:
RVCZPMNWNASOSI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccccc1O.NCCN.O=C
EC Number:
614-673-9
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.262g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.482g/mol
Monoisotopic Mass:
310.262g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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