1-Boc-5-amino-1H-Indazole - CAS 129488-10-4
Catalog: |
BB006995 |
Product Name: |
1-Boc-5-amino-1H-Indazole |
CAS: |
129488-10-4 |
Synonyms: |
5-amino-1-indazolecarboxylic acid tert-butyl ester; tert-butyl 5-aminoindazole-1-carboxylate |
IUPAC Name: | tert-butyl 5-aminoindazole-1-carboxylate |
Description: | 1-Boc-5-amino-1H-Indazole (CAS# 129488-10-4) is an intermediate to prepare protein kinase inhibitors. |
Molecular Weight: | 233.27 |
Molecular Formula: | C12H15N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)N)C=N1 |
InChI: | InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,13H2,1-3H3 |
InChI Key: | LRSDPIIWOZRHNJ-UHFFFAOYSA-N |
Boiling Point: | 395.3 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
Appearance: | Grey to yellow solid |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
MDL: | MFCD04114656 |
LogP: | 2.98290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
CN-111825675-A | ROCK inhibitor and preparation method and application thereof | 20190415 |
WO-2020211751-A1 | Rock inhibitor and preparation method and application therefor | 20190415 |
WO-2020130214-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.116426730 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.116426730 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Amines and Anilines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS