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Formaldehyde, polymer with ammonia, 2-methylphenol and phenol
1. Names and Identifiers
- 1.1 Name
- Formaldehyde, polymer with ammonia, 2-methylphenol and phenol
- 1.2 Synonyms
- 6-AMINO-6-METHYLCYCLOHEXA-1,3-DIEN-1-OL; Ammonia, o-cresol, formaldehyde, phenol polymer; Ammonia, polymer with formaldehyde, 2-methylphenol and phenol; Ammonia,o-cresol,formaldehyde,phenol polymer; Ammonia-o-cresol-formaldehyde-phenol copolymer; AMMONIA-ORTHO-CRESOL-FORMALDEHYDE-PHENOL COPOLYMER; FORMALDEHYDE; Formaldehyde, polymer with ammonia, 2-methylphenol and phenol; o-Cresol, formaldehyde, phenol, ammonia polymer; o-Cresol,formaldehyde,phenol,ammonia polymer; PHENOL; Phenol, 2-methyl-, polymer with ammonia, formaldehyde and phenol; Phenol, polymer with ammonia, formaldehyde and 2-methylphenol; phenol/ formaldehyde/ o-cresol/ ammonia copolymer;
- 1.3 CAS No.
- 55185-45-0
- 1.4 CID
- 171419
- 1.5 Molecular Formula
- C14H19NO3
- 1.6 Inchi
- InChI=1S/C7H11NO.C6H6O.CH2O/c1-7(8)5-3-2-4-6(7)9;7-6-4-2-1-3-5-6;1-2/h2-4,9H,5,8H2,1H3;1-5,7H;1H2
- 1.7 InChkey
- PPKODCJDMHEQLB-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC1(CC=CC=C1O)N.C=O.C1=CC=C(C=C1)O
- 1.9 Isomers Smiles
- CC1(CC=CC=C1O)N.C=O.C1=CC=C(C=C1)O
2. 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
3. Computed Properties
- Molecular Weight：249.31g/mol
- Molecular Formula：C14H19NO3
- Compound Is Canonicalized：True
- XLogP3-AA：249.13649347
- Monoisotopic Mass：249.13649347
- Complexity：220
- Rotatable Bond Count：0
- Hydrogen Bond Donor Count：3
- Hydrogen Bond Acceptor Count：4
- Topological Polar Surface Area：83.6
- Heavy Atom Count：：18
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：1
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：3
- CACTVS Substructure Key Fingerprint：AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAQCAAADIyBkAIyBoBAAgCIACBCgACCAAAgIAAIiAAGCIgKJiKCERKAcAAk0BEImAeAQAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4.Other Information
- Manufacturing Info
- Formaldehyde, polymer with ammonia, 2-methylphenol and phenol: ACTIVE|XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).
5. Realated Product Infomation
EN
