3-(Benzylamino)-1-propanol - CAS 4720-29-0
Catalog: |
BB026233 |
Product Name: |
3-(Benzylamino)-1-propanol |
CAS: |
4720-29-0 |
Synonyms: |
3-[(phenylmethyl)amino]-1-propanol; 3-(benzylamino)propan-1-ol |
IUPAC Name: | 3-(benzylamino)propan-1-ol |
Description: | 3-(Benzylamino)-1-propanol (CAS# 4720-29-0) is a compound useful in organic synthesis. |
Molecular Weight: | 165.23 |
Molecular Formula: | C10H15NO |
Canonical SMILES: | C1=CC=C(C=C1)CNCCCO |
InChI: | InChI=1S/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2 |
InChI Key: | ZQJXSIOFSZYGMH-UHFFFAOYSA-N |
Boiling Point: | 289.8 °C at 760 mmHg |
Density: | 1.022 g/cm3 |
Appearance: | Colorless liquid |
LogP: | 1.54950 |
GHS Hazard Statement: | H302 (84.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021053158-A1 | Novel histone methyltransferase inhibitors | 20190918 |
WO-2020140054-A1 | Cyclin-dependent kinase inhibitors | 20181228 |
KR-20210032431-A | Specific (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepan-2-carboxamide for treatment of lupus nephritis | 20180717 |
KR-20210032439-A | Specific (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepan-2-carboxamide for treating inflammatory bowel disease | 20180717 |
US-2021252015-A1 | Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides for treating inflammatory bowel disease | 20180717 |
PMID | Publication Date | Title | Journal |
11862664 | 20010801 | [A novel pyridazino-fused ring system: synthesis of pyridazino[3,4-b]diazepam] | Acta pharmaceutica Hungarica |
Complexity: | 100 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.115364102 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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