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4-OCTADECYLANILINE 97 structure

4-OCTADECYLANILINE 97

CAS：114235-67-5
MW:345.615
MF：C24H43N

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Names and ldentifier
Properties
Msds
Computational chemical data

1. Names and Identifiers

1.1 Name: 4-OCTADECYLANILINE 97

1.2 Synonyms: 4-n-Octadecylaniline; 4-OCTADECYLANILINE 97; Benzenamine, 4-octadecyl-;

1.3 CAS No.: 114235-67-5

1.4 CID: 3563365

1.5 Molecular Formula: C24H43N

1.6 Inchi: InChI=1S/C24H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24(25)22-20-23/h19-22H,2-18,25H2,1H3

1.7 InChkey: CCRTYBGROAGVGK-UHFFFAOYSA-N

1.8 Canonical Smiles: CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)N

1.9 Isomers Smiles: CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)N

2. Properties

2.1 pKa: 4.95±0.10(Predicted)

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

4. Synthesis Route

114235-67-5Total: 9 Synthesis Route

71-43-2

71-43-2 202 Suppliers

114235-67-5

114235-67-5 6 Suppliers

108-90-7

108-90-7 93 Suppliers

114235-67-5

114235-67-5 6 Suppliers

5. Precursor and Product

precursor:

71-43-2

71-43-2

4445-07-2

4445-07-2

6786-36-3

6786-36-3

112-76-5

112-76-5

74497-02-2

74497-02-2

197160-74-0

197160-74-0

873404-97-8

873404-97-8

108-90-7

108-90-7

112-92-5

112-92-5

127274-77-5

127274-77-5

6. Computed Properties

Molecular Weight：345.615g/mol
Molecular Formula：C₂₄H₄₃N
Compound Is Canonicalized：True
XLogP3-AA：345.339550376
Monoisotopic Mass：345.339550376
Complexity：255
Rotatable Bond Count：17
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：26
Heavy Atom Count：：25
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：AAADcfB6AAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAQAAAADAiBGAAywIBAAACAAiRCQACCAAAgAgAIiAAAZIgIICKAkZGAIABgkAAIyAcQgMAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

7. Toltal 5 Suppliers View more

Factory Supply 4-n-Octadecylaniline

Amitychem Corporation

^1YR

Tel: Update Time:2023/06/28

inquire

4-Octadecylaniline

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

inquire

4-Octadecylaniline

Hangzhou J&H Chemical Co., Ltd

Tel: Update Time:2017/12/14

inquire

Benzenamine,4-octadecyl-

Hangzhou Mole's Science & Technology Co.,Ltd.

Tel: Update Time:2019/02/25

inquire

4-n-Octadecylaniline

Hebei Fulong Import & Export Co., Ltd.

Tel: Update Time:2010/12/18

inquire

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 pKa

4. Synthesis Route

5. Precursor and Product

6. Computational chemical data

7. Toltal 5 Suppliers

CAS Products Suppliers

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