N-Boc-2-bromo-1-propanamine - CAS 121102-88-3
Catalog: |
BB005036 |
Product Name: |
N-Boc-2-bromo-1-propanamine |
CAS: |
121102-88-3 |
Synonyms: |
N-(2-bromopropyl)carbamic acid tert-butyl ester; tert-butyl N-(2-bromopropyl)carbamate |
IUPAC Name: | tert-butyl N-(2-bromopropyl)carbamate |
Description: | N-Boc-2-bromo-1-propanamine (CAS# 121102-88-3) is a useful research chemical. |
Molecular Weight: | 238.12 |
Molecular Formula: | C8H16BrNO2 |
Canonical SMILES: | CC(CNC(=O)OC(C)(C)C)Br |
InChI: | InChI=1S/C8H16BrNO2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11) |
InChI Key: | KHFDEFLMWSUKAS-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 2.68540 |
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-2021060395-A1 | Sustained-release pharmaceutical composition | 20190925 |
WO-2019182015-A1 | Alginic acid derivative bonded to nonsteroidal anti-inflammatory compound | 20180322 |
CN-112154158-A | Alginic acid derivatives with non-steroidal anti-inflammatory compounds attached | 20180322 |
EP-3770180-A1 | Alginic acid derivative bonded to nonsteroidal anti-inflammatory compound | 20180322 |
US-2021000968-A1 | Alginic acid derivative bonded to nonsteroidal anti-inflammatory compound | 20180322 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.03644 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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