Bicyclo[2.2.1]heptane-2-methanamine Hydrochloride - CAS 4040-59-9
Catalog: |
BB024491 |
Product Name: |
Bicyclo[2.2.1]heptane-2-methanamine Hydrochloride |
CAS: |
4040-59-9 |
Synonyms: |
6-(methylamino)-4,4-diphenyl-3-heptanol; 6-(methylamino)-4,4-diphenylheptan-3-ol |
IUPAC Name: | 6-(methylamino)-4,4-diphenylheptan-3-ol |
Description: | Bicyclo[2.2.1]heptane-2-methanamine Hydrochloride (CAS# 4040-59-9) is a useful research chemical. |
Molecular Weight: | 161.67 |
Molecular Formula: | C8H16ClN |
Canonical SMILES: | CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)O |
InChI: | InChI=1S/C20H27NO/c1-4-19(22)20(15-16(2)21-3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21-22H,4,15H2,1-3H3 |
InChI Key: | KYHAUJGXNUJCTC-UHFFFAOYSA-N |
Boiling Point: | 166 °C at 760 mmHg |
Density: | 0.963 g/cm3 |
LogP: | 2.88360 |
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 |
US-3213128-A | Demethylation process | 19630422 |
US-3021360-A | 3-acetoxy-4, 4-diphenyl-6-methylaminoheptane | 19590325 |
PMID | Publication Date | Title | Journal |
15331122 | 20041101 | Suppressed fever and hypersensitivity responses in chicks prenatally exposed to opiates | Brain, behavior, and immunity |
12676878 | 20030701 | Transfer of L-alpha-acetylmethadol (LAAM) and L-alpha-acetyl-N-normethadol (norLAAM) by the perfused human placental lobule | The Journal of pharmacology and experimental therapeutics |
12235259 | 20021001 | Prenatal opiate withdrawal activates the chick embryo hypothalamic pituitary-adrenal axis and dilates vitelline blood vessels via serotonin(2) receptors | The Journal of pharmacology and experimental therapeutics |
11259570 | 20010401 | Metabolism of levo-alpha-Acetylmethadol (LAAM) by human liver cytochrome P450: involvement of CYP3A4 characterized by atypical kinetics with two binding sites | The Journal of pharmacology and experimental therapeutics |
9394023 | 19971201 | The involvement of cytochrome P450 3A4 in the N-demethylation of L-alpha-acetylmethadol (LAAM), norLAAM, and methadone | Drug metabolism and disposition: the biological fate of chemicals |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.209264485 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.209264485 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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