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Organic Intermediate
1,18-OCTADECANE-DIAMINE
CAS:
10341-25-0
MW:
284.532
MF:
C18H40N2
 
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Names and ldentifier
Properties
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
1,18-OCTADECANE-DIAMINE
1.2 Synonyms
REF DUPL: 1,18-Octadecane-diamine;
1.3 CAS No.
10341-25-0
1.4 CID
45179
1.5 Molecular Formula
C18H40N2
1.6 Inchi
InChI=1S/C18H40N2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-20H2
1.7 InChkey
CJYCVQJRVSAFKB-UHFFFAOYSA-N
1.8 Canonical Smiles
C(CCCCCCCCCN)CCCCCCCCN
1.9 Isomers Smiles
C(CCCCCCCCCN)CCCCCCCCN
2. Properties
2.1 Solubility
几乎不溶 (0.018 g/L) (25 oC),
2.2 pKa
10.97±0.10(Predicted)
3. Synthesis Route
10341-25-0
Total: 5 Synthesis Route
871-70-5
44 Suppliers
10341-25-0
3 Suppliers
1120-10-1
10341-25-0
3 Suppliers
View all
4. Precursor and Product
precursor:
1561-48-4
7735-45-7
871-70-5
1120-10-1
7735-39-9
5. Computed Properties
Molecular Weight:
284.532g/mol
Molecular Formula:
C
18
H
40
N
2
Compound Is Canonicalized:
True
Exact Mass:
6.3
XLogP3-AA:
284.319149284
Monoisotopic Mass:
284.319149284
Complexity:
142
Rotatable Bond Count:
17
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Topological Polar Surface Area:
52
Heavy Atom Count::
20
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADcfB7AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACADBAAQAAABAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAIAgAAAAAAAEAAAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 3 Suppliers
View more
Henan Tianfu Chemical Co.,Ltd
1YR
Tel:
Update Time:
2024/11/15
inquire
Pharma nord Inc
Tel:
Update Time:
2014/02/27
inquire
tasly phar co.ltd
Tel:
Update Time:
2014/02/27
inquire
7. Realated Product Infomation
Octadecane
cas:593-45-3
N-OCTADECANE-D38
cas:16416-31-2
octadecane-1,2-diol
cas:20294-76-2
octadecan-1-ol
cas:8034-90-0
OCTADECANE-1-14C
cas:4391-54-2
Octadecane-1,9,10-Triol
cas:7023-01-0
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2. Properties
2.1 Solubility
2.2 pKa
3.
Synthesis Route
4.
Precursor and Product
5.
Computational chemical data
6.
Toltal 3 Suppliers
7.
Realated Product Infomation
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