N-Boc-3-iodo-1-propylamine - CAS 167479-01-8
Catalog: |
BB012397 |
Product Name: |
N-Boc-3-iodo-1-propylamine |
CAS: |
167479-01-8 |
Synonyms: |
N-(3-iodopropyl)carbamic acid tert-butyl ester; tert-butyl N-(3-iodopropyl)carbamate |
IUPAC Name: | tert-butyl N-(3-iodopropyl)carbamate |
Description: | N-Boc-3-iodo-1-propylamine (CAS# 167479-01-8) is used in preparation of isoindolin-2-one-linked quinazoline and pyridopyrimidine as Ras protein degraders and anticancer agents. |
Molecular Weight: | 285.12 |
Molecular Formula: | C8H16INO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCCI |
InChI: | InChI=1S/C8H16INO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11) |
InChI Key: | ORVXNBKOWDNMGB-UHFFFAOYSA-N |
LogP: | 2.72710 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 |
WO-2021051034-A1 | Ras protein degraders, pharmaceutical compositions thereof, and their therapeutic applications | 20190913 |
WO-2020151682-A1 | Macrocyclic immunomodulator | 20190123 |
WO-2020127194-A1 | Anticancer compounds | 20181217 |
EP-3898613-A1 | Anticancer compounds | 20181217 |
KR-20210104791-A | anticancer compound | 20181217 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.02258 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.02258 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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