N1-Boc-bicyclo[1.1.1]pentane-1,3-diamine - CAS 1638767-25-5
Catalog: |
BB012054 |
Product Name: |
N1-Boc-bicyclo[1.1.1]pentane-1,3-diamine |
CAS: |
1638767-25-5 |
Synonyms: |
N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamic acid tert-butyl ester; tert-butyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate |
IUPAC Name: | tert-butyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate |
Description: | N1-Boc-bicyclo[1.1.1]pentane-1,3-diamine (CAS# 1638767-25-5) is a useful intermediate. |
Molecular Weight: | 198.26 |
Molecular Formula: | C10H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC12CC(C1)(C2)N |
InChI: | InChI=1S/C10H18N2O2/c1-8(2,3)14-7(13)12-10-4-9(11,5-10)6-10/h4-6,11H2,1-3H3,(H,12,13) |
InChI Key: | WDWZFRPJPZEOBM-UHFFFAOYSA-N |
LogP: | 2.23610 |
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-2021127303-A1 | Progranulin modulators and methods of using the same | 20191220 |
US-2021115010-A1 | Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (dlk) kinase for the treatment of disease | 20191021 |
WO-2021081074-A1 | Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (dlk) kinase for the treatment of disease | 20191021 |
US-2020347043-A1 | Modulators of the integrated stress pathway | 20190430 |
WO-2020223536-A1 | Substituted cyclolakyls as modulators of the integrated stress pathway | 20190430 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.136827821 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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