(R)-2-(Boc-amino)propanenitrile - CAS 100927-09-1
Catalog: |
BB000388 |
Product Name: |
(R)-2-(Boc-amino)propanenitrile |
CAS: |
100927-09-1 |
Synonyms: |
N-[(1R)-1-cyanoethyl]carbamic acid tert-butyl ester; tert-butyl N-[(1R)-1-cyanoethyl]carbamate |
IUPAC Name: | tert-butyl N-[(1R)-1-cyanoethyl]carbamate |
Description: | (R)-2-(Boc-amino)propanenitrile (CAS# 100927-09-1 ) is a useful research chemical. |
Molecular Weight: | 170.21 |
Molecular Formula: | C8H14N2O2 |
Canonical SMILES: | CC(C#N)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C8H14N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,1-4H3,(H,10,11)/t6-/m1/s1 |
InChI Key: | RPKPFOKNXKRFTD-ZCFIWIBFSA-N |
LogP: | 1.81408 |
Publication Number | Title | Priority Date |
AU-2016357927-A1 | Macrocyclic broad spectrum antibiotics | 20151120 |
CA-3005674-A1 | Macrocyclic broad spectrum antibiotics | 20151120 |
TW-201726632-A | Giant ring broad-acting antibiotic | 20151120 |
US-2018327367-A1 | Macrocyclic broad spectrum antibiotics | 20151120 |
EP-2560969-A1 | 4 - (5 - isoxazolyl or 5 - pyrrazolyl -1,2,4- oxadiazol - 3 - yl) -mandelic acid amides as sphingosin- 1 - phosphate 1 rreceptor agonists | 20100423 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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