| CAS Number | 955287-40-8 |
| Catalog Number | AG00607A(AGN-PC-0WQXG1) |
| Chemical Name | 3-Amino-3-(4-isopropyl-phenyl)-propan-1-ol |
| IUPAC Name | 3-amino-3-(4-propan-2-ylphenyl)propan-1-ol |
| InChI | InChI=1S/C12H19NO/c1-9(2)10-3-5-11(6-4-10)12(13)7-8-14/h3-6,9,12,14H,7-8,13H2,1-2H3 |
| InChI Key | TVSIYSBCFQVGGD-UHFFFAOYSA-N |
| MDL Number | MFCD07366613 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CC(C1=CC=C(C(CCO)N)C=C1)C |
| Synonyms | 3-Amino-3-(4-isopropyl-phenyl)-propan-1-ol,
955287-40-8,
3-Amino-3-(4-isopropylphenyl)propan-1-ol,
(3R)-3-AMINO-3-[4-(METHYLETHYL)PHENYL]PROPAN-1-OL,
(3S)-3-AMINO-3-[4-(METHYLETHYL)PHENYL]PROPAN-1-OL,
1213104-43-8,
1213359-92-2,
CTK5H7793,
DTXSID40588751,
AA265,
MFCD07366613,
AKOS011675727,
AB31014,
BBV-34216994,
OR307626,
RT-008552,
T6840,
3-AMINO-3-[4-(PROPAN-2-YL)PHENYL]PROPAN-1-OL,
3-AMINO-3- -PROPAN-1-OL,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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