| CAS Number | 39849-47-3 |
| Catalog Number | AG00C8ZF(AGN-PC-0RL1LI) |
| Chemical Name | 1-amino-3-(1-pyrrolidinyl)-2-propanol |
| IUPAC Name | 1-amino-3-pyrrolidin-1-ylpropan-2-ol |
| InChI | InChI=1S/C7H16N2O/c8-5-7(10)6-9-3-1-2-4-9/h7,10H,1-6,8H2 |
| InChI Key | DEORKGOOAYZFNO-UHFFFAOYSA-N |
| MDL Number | MFCD09729922 |
| Molecular Formula | C7H16N2O |
| Molecular Weight | 144.2147 |
| SMILES | OC(CN1CCCC1)CN |
| Synonyms | 1-amino-3-(pyrrolidin-1-yl)propan-2-ol,
39849-47-3,
1-amino-3-(1-pyrrolidinyl)-2-propanol,
AC1Q53OQ,
SCHEMBL488658,
CTK7E3228,
DTXSID00479217,
DEORKGOOAYZFNO-UHFFFAOYSA-N,
1-Amino-3-pyrrolizino-2-propanol,
MFCD09729922,
AKOS000139020,
AKOS016051100,
1-amino-3-pyrrolidin-1-ylpropan-2-ol,
1-amino-3-pyrrolidin-1-yl-propan-2-ol,
1-amino-3-pyrrolidine-1-yl-propan-2-ol,
AS-48059,
EN300-45016,
Y-5387,
1-amino-3-(1-pyrrolidinyl)-2-propanol(SALTDATA,
|
| Complexity | 91.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.218g/mol |
| Monoisotopic Mass | 144.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
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