3-(Dibenzylamino)-1-propanol - CAS 3161-51-1
Catalog: |
BB021001 |
Product Name: |
3-(Dibenzylamino)-1-propanol |
CAS: |
3161-51-1 |
Synonyms: |
3-(dibenzylamino)propan-1-ol |
IUPAC Name: | 3-(dibenzylamino)propan-1-ol |
Description: | 3-(Dibenzylamino)-1-propanol (CAS# 3161-51-1 ) is a useful research chemical. |
Molecular Weight: | 255.35 |
Molecular Formula: | C17H21NO |
Canonical SMILES: | C1=CC=C(C=C1)CN(CCCO)CC2=CC=CC=C2 |
InChI: | InChI=1S/C17H21NO/c19-13-7-12-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,19H,7,12-15H2 |
InChI Key: | LKOXRTJFYFGTKJ-UHFFFAOYSA-N |
Boiling Point: | 388.8 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.037 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00075550 |
LogP: | 3.07120 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111592467-A | Nilaparib intermediate, preparation method and application thereof, and synthesis method of nilapab | 20200520 |
WO-2020198583-A1 | Bicyclic jak inhibitors and uses thereof | 20190327 |
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Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.162314293 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.162314293 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 23.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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