3-(Boc-amino)-2-butanol - CAS 752135-63-0
Catalog: |
BB035271 |
Product Name: |
3-(Boc-amino)-2-butanol |
CAS: |
752135-63-0 |
Synonyms: |
N-(3-hydroxybutan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(3-hydroxybutan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(3-hydroxybutan-2-yl)carbamate |
Description: | 3-(Boc-amino)-2-butanol (CAS# 752135-63-0) is a useful research chemical. |
Molecular Weight: | 189.25 |
Molecular Formula: | C9H19NO3 |
Canonical SMILES: | CC(C(C)O)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C9H19NO3/c1-6(7(2)11)10-8(12)13-9(3,4)5/h6-7,11H,1-5H3,(H,10,12) |
InChI Key: | CHYWVAGOJXWXIK-UHFFFAOYSA-N |
LogP: | 1.67130 |
Publication Number | Title | Priority Date |
EP-3287454-A1 | Heterocyclic compound | 20150424 |
JP-6698633-B2 | Heterocyclic compound | 20150424 |
JP-WO2016171248-A1 | Heterocyclic compounds | 20150424 |
US-10131653-B2 | Heterocyclic compound | 20150424 |
US-2018155333-A1 | Heterocyclic Compound | 20150424 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.13649347 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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