4-(Boc-amino)benzylamine - CAS 220298-96-4
Catalog: |
BB017306 |
Product Name: |
4-(Boc-amino)benzylamine |
CAS: |
220298-96-4 |
Synonyms: |
tert-butyl N-[4-(aminomethyl)phenyl]carbamate |
IUPAC Name: | tert-butyl N-[4-(aminomethyl)phenyl]carbamate |
Description: | 4-(Boc-amino)benzylamine (CAS# 220298-96-4) is used in preparation of degradation agents for Cyclin dependent kinase useful for the treatment of cancer. |
Molecular Weight: | 222.28 |
Molecular Formula: | C12H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=C(C=C1)CN |
InChI: | InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h4-7H,8,13H2,1-3H3,(H,14,15) |
InChI Key: | URXUHALBOWYXJZ-UHFFFAOYSA-N |
Boiling Point: | 300.1 °C at 760 mmHg |
Melting Point: | 89-94 °C |
Purity: | 98 % |
Density: | 1.12 g/cm3 |
MDL: | MFCD02183573 |
LogP: | 3.26560 |
GHS Hazard Statement: | H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112898193-A | Indole aryl sulfone derivative and preparation method and application thereof | 20210123 |
WO-2021116446-A1 | Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021116528-A1 | Luminescent lanthanide(iii) chelates | 20191209 |
WO-2021067393-A1 | SMALL MOLECULE INHIBITORS OF Id PROTEINS | 20191001 |
US-2020339555-A1 | Therapeutic compounds and methods of use thereof | 20190425 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.136827821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Amines and Anilines
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS