2-(Boc-amino)-3-phenylpropylamine - CAS 179051-72-0
Catalog: |
BB013532 |
Product Name: |
2-(Boc-amino)-3-phenylpropylamine |
CAS: |
179051-72-0 |
Synonyms: |
N-(1-amino-3-phenylpropan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(1-amino-3-phenylpropan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(1-amino-3-phenylpropan-2-yl)carbamate |
Description: | 2-(Boc-amino)-3-phenylpropylamine (CAS# 179051-72-0) is a useful research chemical. |
Molecular Weight: | 250.34 |
Molecular Formula: | C14H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CN |
InChI: | InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12(10-15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3,(H,16,17) |
InChI Key: | LHZRJEOMDFKIJM-UHFFFAOYSA-N |
MDL: | MFCD11974399 |
LogP: | 2.98580 |
Publication Number | Title | Priority Date |
TW-201940485-A | Aminopyrrolotriamidine as a kinase inhibitor | 20180126 |
WO-2019147782-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
AU-2019211382-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
EP-3743430-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
KR-20200115550-A | Aminopyrrolotriazine as a kinase inhibitor | 20180126 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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