| CAS Number | 1042574-94-6 |
| Catalog Number | AG019SI2(AGN-PC-0WOCK2) |
| Chemical Name | 3-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol |
| IUPAC Name | 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol |
| InChI | InChI=1S/C13H19NO/c15-10-4-9-14-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13-15H,3-4,6,8-10H2 |
| InChI Key | ACYROAKFDBXHES-UHFFFAOYSA-N |
| MDL Number | MFCD11163083 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | OCCCNC1C2=C(C=CC=C2)CCC1 |
| Synonyms | 3-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol,
1042574-94-6,
SCHEMBL14969305,
AKOS008056276,
MCULE-8652008491,
NE15022,
EN300-93734,
Z104898328,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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