| CAS Number | 42729-56-6 |
| Catalog Number | AG003EG7(AGN-PC-0WCZE3) |
| Chemical Name | 1-Isopropyl-3-pyrrolidinol |
| IUPAC Name | 1-propan-2-ylpyrrolidin-3-ol |
| InChI | InChI=1S/C7H15NO/c1-6(2)8-4-3-7(9)5-8/h6-7,9H,3-5H2,1-2H3 |
| InChI Key | MYFPIRLHESHOGR-UHFFFAOYSA-N |
| MDL Number | MFCD00191525 |
| Molecular Formula | C7H15NO |
| Molecular Weight | 129.2001 |
| SMILES | CC(C)N1CCC(O)C1 |
| Synonyms | 1-Isopropyl-3-pyrrolidinol,
42729-56-6,
1-isopropylpyrrolidin-3-ol,
1-Isopropyl-3-hydroxypyrrolidine,
1-propan-2-ylpyrrolidin-3-ol,
ACMC-1CULF,
AC1Q1Q3A,
SCHEMBL105168,
CTK8B1681,
DTXSID00461839,
MYFPIRLHESHOGR-UHFFFAOYSA-N,
KS-000017HG,
ANW-29860,
MFCD00191525,
AKOS009159193,
AS-47608,
TC-118605,
FT-0691119,
I0430,
CID11309522,
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| Complexity | 92.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.203g/mol |
| Monoisotopic Mass | 129.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number