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Molecule
1-Naphthalenamine, 1,2,3,4-Tetrahydro-, Hydrochloride (1:1)
CAS: 49800-23-9 · C10H14ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 49800-23-9
- Molecular Formula
- C10H14ClN
- Molecular Mass
- 183.68 g/mol
Identifiers
CAS Registry Number
49800-23-9
SMILES
Cl.NC1CCCc2ccccc21
InChI Key
DETWFIUAXSWCIK-UHFFFAOYSA-N
InChI
InChI=1S/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H
Names and Synonyms
- 1-Naphthalenamine, 1,2,3,4-Tetrahydro-, Hydrochloride (1:1) Systematic Name
- 1-Naphthalenamine, 1,2,3,4-tetrahydro-, hydrochloride (1:1) Synonym
- 1-Naphthylamine, 1,2,3,4-tetrahydro-, hydrochloride Synonym
- 1-Naphthalenamine, 1,2,3,4-tetrahydro-, hydrochloride Synonym
- 1-Naphthalenamine, 1,2,3,4-tetrahydro-, hydrochloride, (±)- Synonym
- 1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride Synonym
- (±)-1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride Synonym
- 1,2,3,4-Tetrahydronaphthalen-1-amine hydrochloride Synonym
- 1,2,3,4-Tetrahydronaphthalen-1-aminium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.68 g/mol | CAS Common Chemistry |
| 183.68200000000002 g/mol | RDKit | |
| 183.682 g/mol | RDKit | |
| 183.679 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC1C=2C=CC=CC2CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=DETWFIUAXSWCIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Naphthalenamine, 1,2,3,4-tetrahydro-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.4445000000000006 | RDKit |
| 2.4445 | RDKit | |
| Molar Refractivity | 53.556400000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 183.081477128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 183.68 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14ClN.
