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70415-59-7 | 3-(Methylnitrosoamino)-1-propanol
CAS No: 70415-59-7 Catalog No: AG0036OB MDL No:
Product Description
Catalog Number:
AG0036OB
Chemical Name:
3-(Methylnitrosoamino)-1-propanol
CAS Number:
70415-59-7
Molecular Formula:
C4H10N2O2
Molecular Weight:
118.1344
IUPAC Name:
N-(3-hydroxypropyl)-N-methylnitrous amide
InChI:
InChI=1S/C4H10N2O2/c1-6(5-8)3-2-4-7/h7H,2-4H2,1H3
InChI Key:
DNPICXVYNIZRFB-UHFFFAOYSA-N
SMILES:
CN(N=O)CCCO
Properties
Complexity:
67.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.074g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.136g/mol
Monoisotopic Mass:
118.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Studies of initiation and promotion of carcinogenesis by N-nitroso compounds. | Cancer letters 19980130 |
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