| CAS Number | 113511-49-2 |
| Catalog Number | AG0008UD(AGN-PC-06W51Z) |
| Chemical Name | 3-Amino-3-benzo[1,3]dioxol-5-yl-propan-1-ol hydrochloride |
| IUPAC Name | 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride |
| InChI | InChI=1S/C10H13NO3.ClH/c11-8(3-4-12)7-1-2-9-10(5-7)14-6-13-9;/h1-2,5,8,12H,3-4,6,11H2;1H |
| InChI Key | LZIDAQCWYQPNBJ-UHFFFAOYSA-N |
| MDL Number | MFCD06211985 |
| Molecular Formula | C10H14ClNO3 |
| Molecular Weight | 231.6761 |
| SMILES | Cl.NC(C1=CC2=C(OCO2)C=C1)CCO |
| Synonyms | 113511-49-2,
3-Amino-3-benzo[1,3]dioxol-5-yl-propan-1-ol hydrochloride,
DTXSID80656549,
MFCD06211985,
AKOS025149346,
OR307625,
T6167,
1,3-Benzodioxole-5-propanol, gamma-amino-, hydrochloride (1:1),
3-Amino-3-(2H-1,3-benzodioxol-5-yl)propan-1-ol--hydrogen chloride (1/1),
LZIDAQCWYQPNBJ-UHFFFAOYSA-N,
3-Amino-3-benzo[1,3]dioxol-5-ylpropan-1-ol hydrochloride,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.676g/mol |
| Monoisotopic Mass | 231.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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