3-(Allyloxycarbonylamino)-1-propanol - CAS 156801-29-5
Catalog: |
BB011266 |
Product Name: |
3-(Allyloxycarbonylamino)-1-propanol |
CAS: |
156801-29-5 |
Synonyms: |
prop-2-enyl N-(3-hydroxypropyl)carbamate |
IUPAC Name: | prop-2-enyl N-(3-hydroxypropyl)carbamate |
Description: | 3-(Allyloxycarbonylamino)-1-propanol (CAS# 156801-29-5 ) is a useful research chemical. |
Molecular Weight: | 159.18 |
Molecular Formula: | C7H13NO3 |
Canonical SMILES: | C=CCOC(=O)NCCCO |
InChI: | InChI=1S/C7H13NO3/c1-2-6-11-7(10)8-4-3-5-9/h2,9H,1,3-6H2,(H,8,10) |
InChI Key: | ZKLMTPLBEYYNKM-UHFFFAOYSA-N |
Boiling Point: | 291.7 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.097 g/mL at 20 ℃(lit.) |
MDL: | MFCD01862884 |
LogP: | 0.67190 |
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 |
WO-2021195295-A1 | Bifunctional molecules and methods of using thereof | 20200324 |
WO-2020077217-A1 | Prodrug modulators of the integrated stress pathway | 20181011 |
CN-113423685-A | Prodrug modulators of integrated stress pathways | 20181011 |
EP-3864003-A1 | Prodrug modulators of the integrated stress pathway | 20181011 |
US-11149043-B2 | Prodrug modulators of the integrated stress pathway | 20181011 |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.08954328 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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