(R)-N1-Boc-3-phenyl-1,2-propanediamine - CAS 400652-57-5
Catalog: |
BB024277 |
Product Name: |
(R)-N1-Boc-3-phenyl-1,2-propanediamine |
CAS: |
400652-57-5 |
Synonyms: |
N-[(2R)-2-amino-3-phenylpropyl]carbamic acid tert-butyl ester; tert-butyl N-[(2R)-2-amino-3-phenylpropyl]carbamate |
IUPAC Name: | tert-butyl N-[(2R)-2-amino-3-phenylpropyl]carbamate |
Description: | (R)-N1-Boc-3-phenyl-1,2-propanediamine (CAS# 400652-57-5) is a useful research chemical. |
Molecular Weight: | 250.34 |
Molecular Formula: | C14H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)N |
InChI: | InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-10-12(15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)/t12-/m1/s1 |
InChI Key: | ADVSLLRGGNVROC-GFCCVEGCSA-N |
LogP: | 3.17230 |
Publication Number | Title | Priority Date |
EP-2118102-A1 | Tricyclic indoles and (4,5-dihydro) indoles | 20061128 |
EP-2118102-B1 | Tricyclic indoles and (4,5-dihydro) indoles | 20061128 |
US-2010075998-A1 | Tricyclic indoles and (4,5-dihydro) indoles | 20061128 |
US-8207180-B2 | Tricyclic indoles and (4,5-dihydro) indoles | 20061128 |
WO-2008065054-A1 | Tricyclic indoles and (4,5-dihydro) indoles | 20061128 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.168127949 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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