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219919-48-9 | Benzaldehyde,4-(2-aminoethyl)-
CAS No: 219919-48-9 Catalog No: AG006XUI MDL No:
Product Description
Catalog Number:
AG006XUI
Chemical Name:
Benzaldehyde,4-(2-aminoethyl)-
CAS Number:
219919-48-9
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
4-(2-aminoethyl)benzaldehyde
InChI:
InChI=1S/C9H11NO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,7H,5-6,10H2
InChI Key:
ZIGUFSQHAGLYHM-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)C=O
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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