N-Boc-1,3-propanediamine - CAS 75178-96-0
Catalog: |
BB035262 |
Product Name: |
N-Boc-1,3-propanediamine |
CAS: |
75178-96-0 |
Synonyms: |
N-Boc-1,3-diaminopropane; tert-Butyl (3-aminopropyl)carbamate; N-(3-Aminopropyl)carbamic Acid tert-Butyl Ester; 1-Boc-1,3-propanediamine; N-(tert-Butoxycarbonyl)-1,3-diaminopropane; 3-tert-butyloxycarbonylaminopropylamine; N-t-boc-1,3-propanediamine; Carbamic acid, (3-aminopropyl)-, 1,1-dimethylethyl ester; t-butyl N-(3-aminopropyl)carbamate; 2-Methyl-2-propanyl (3-aminopropyl)carbamate |
IUPAC Name: | tert-butyl N-(3-aminopropyl)carbamate |
Description: | N-Boc-1,3-propanediamine (CAS# 75178-96-0) is used in the synthesis and further studies on the 68Ga labeled folic acid derivative for targeting folate receptors. |
Molecular Weight: | 174.24 |
Molecular Formula: | C8H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCCN |
InChI: | InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11) |
InChI Key: | POHWAQLZBIMPRN-UHFFFAOYSA-N |
Boiling Point: | 271.7±23.0°C at 760 mmHg |
Melting Point: | 22°C |
Purity: | ≥98% |
Density: | 0.998 g/mL at 20°C |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Colorless Liquid |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00210021 |
LogP: | 1.95110 |
GHS Hazard Statement: | H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112940708-A | Preparation method of transient fluorescence color change supermolecule co-assembly | 20210209 |
CN-112920174-A | Photosensitive compound and preparation method and application thereof | 20210202 |
CN-112898193-A | Indole aryl sulfone derivative and preparation method and application thereof | 20210123 |
CN-112390782-A | Compound for specifically enhancing spatial coupling degree of TRPV4-KCa2.3 complex and application thereof | 20201109 |
CN-112500314-A | Compound, preparation method thereof and application thereof in preparing medicament for treating glycometabolism disorder diseases | 20200914 |
PMID | Publication Date | Title | Journal |
12121134 | 20020701 | Modifications in synthesis strategy improve the yield and efficacy of geldanamycin-herceptin immunoconjugates | Bioconjugate chemistry |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.136827821 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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