| CAS Number | 133437-08-8 |
| Catalog Number | AG003N3A(AGN-PC-003VZ9) |
| Chemical Name | 6-Benzylamino-1-hexanol |
| IUPAC Name | 6-(benzylamino)hexan-1-ol |
| InChI | InChI=1S/C13H21NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,1-2,6-7,10-12H2 |
| InChI Key | ILKSKQBXMQDBFT-UHFFFAOYSA-N |
| MDL Number | MFCD09038506 |
| Molecular Formula | C13H21NO |
| Molecular Weight | 207.3119 |
| SMILES | OCCCCCCNCC1=CC=CC=C1 |
| Synonyms | 6-Benzylamino-1-hexanol,
133437-08-8,
6-(benzylamino)hexan-1-ol,
ACMC-209bs0,
N-(6-Hydroxyhexyl)benzylamine,
SCHEMBL7982481,
CTK0H0027,
DTXSID00568751,
ILKSKQBXMQDBFT-UHFFFAOYSA-N,
ANW-19534,
MFCD09038506,
ZINC34476166,
AKOS022989246,
1-Hexanol, 6-[(phenylmethyl)amino]-,
DA-12094,
TC-108279,
B2968,
FT-0733255,
I14-94213,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.317g/mol |
| Monoisotopic Mass | 207.162g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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UN Code
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Certificate of Analysis
Lot Number