6-(Boc-amino)nicotinaldehyde - CAS 199296-40-7
Catalog: |
BB015384 |
Product Name: |
6-(Boc-amino)nicotinaldehyde |
CAS: |
199296-40-7 |
Synonyms: |
N-(5-formyl-2-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(5-formylpyridin-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(5-formylpyridin-2-yl)carbamate |
Description: | 6-(Boc-amino)nicotinaldehyde (CAS# 199296-40-7) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C11H14N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NC=C(C=C1)C=O |
InChI: | InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-5-4-8(7-14)6-12-9/h4-7H,1-3H3,(H,12,13,15) |
InChI Key: | WZROBBWIJBBWQP-UHFFFAOYSA-N |
Boiling Point: | 316.297 ℃ at 760 mmHg |
Density: | 1.212 g/cm3 |
MDL: | MFCD08064228 |
LogP: | 2.31410 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
US-10435404-B2 | Formulations of a compound modulating kinases | 20170725 |
US-2019031654-A1 | Formulations of a compound modulating kinases | 20170725 |
US-10941142-B2 | Formulations of a compound modulating kinases | 20170725 |
US-10961240-B2 | Formulations of a compound modulating kinases | 20170725 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.10044231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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