Boc-β-Alaninol - CAS 58885-58-8
Catalog: |
BB030193 |
Product Name: |
Boc-β-Alaninol |
CAS: |
58885-58-8 |
Synonyms: |
tert-Butyl N-(3-hydroxypropyl)carbamate; tert-Butyl N-(3-hydroxypropyl)carbamate; N-tert-Butyloxycarbonyl-3-hydroxy-propylamine; 3-(Boc-amino)-1-propanol |
IUPAC Name: | tert-butyl N-(3-hydroxypropyl)carbamate |
Description: | A reagent used in the synthesis of phosphatidyl ethanolamines and ornithine. |
Molecular Weight: | 175.2 |
Molecular Formula: | C8H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCCO |
InChI: | InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11) |
InChI Key: | XDJCYKMWJCYQJM-UHFFFAOYSA-N |
Boiling Point: | 292.6 °C at 760 mmHg |
Purity: | ≥ 99 % (TLC) |
Density: | 1.025 g/mL at 20 °C (lit.) |
Appearance: | Colorless to pale yellow liquid |
Storage: | Store at 2-8 °C |
MDL: | MFCD00191883 |
LogP: | 1.28440 |
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-112707867-A | Novel method for synthesizing 2- (1-methylimidazol-5-yl) ethylamine hydrochloride | 20210204 |
WO-2021207291-A1 | Compounds and uses thereof | 20200406 |
CN-111320732-A | Amphiphilic block copolymer with near-infrared thermal responsiveness and preparation and application thereof | 20200326 |
CN-111253370-A | N-polysubstituted pyridine-2-aminopyrimidine derivatives and application thereof | 20200324 |
CN-111253370-B | N-polysubstituted pyridine-2-aminopyrimidine derivatives and application thereof | 20200324 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.12084340 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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