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6291-84-5 | N-Methylpropane-1,3-diamine
CAS No: 6291-84-5 Catalog No: AG0035E6 MDL No:MFCD00008209
Product Description
Catalog Number:
AG0035E6
Chemical Name:
N-Methylpropane-1,3-diamine
CAS Number:
6291-84-5
Molecular Formula:
C4H12N2
Molecular Weight:
88.1515
MDL Number:
MFCD00008209
IUPAC Name:
N'-methylpropane-1,3-diamine
InChI:
InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3
InChI Key:
QHJABUZHRJTCAR-UHFFFAOYSA-N
SMILES:
CNCCCN
EC Number:
228-544-6
UNII:
4YP367238K
NSC Number:
8160
UN Number:
1993
Properties
Complexity:
21.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
88.1g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
88.154g/mol
Monoisotopic Mass:
88.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Di-μ-thio-cyanato-κN:N-bis-({5-meth-oxy-2-[3-(methyl-amino)propyl-imino-meth-yl]phenolato-κO,N,N'}copper(II)). | Acta crystallographica. Section E, Structure reports online 20100501 |
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