3-Nonanone,2-amino-1-phenyl-, hydrochloride (1:1) supplier

Name
2-amino-1-phenylnonan-3-one hydrochloride
EINECS
CAS No. 153788-04-6
Density
Solubility
Melting Point
Formula C₁₅H₂₄ClNO
Boiling Point 343.3 °C at 760 mmHg
Molecular Weight 269.815
Flash Point 161.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (±)-2-Amino-1-phenyl-3-nonanone hydrochloride;
PSA
LogP

3-Nonanone,2-amino-1-phenyl-, hydrochloride (1:1) Specification

The 3-Nonanone,2-amino-1-phenyl-, hydrochloride (1:1), with the CAS registry number 153788-04-6, is also known as (±)-2-Amino-1-phenyl-3-nonanone hydrochloride. This chemical's molecular formula is C₁₅H₂₄ClNO and molecular weight is 269.8102. What's more, its systematic name is called 2-Amino-1-phenylnonan-3-one hydrochloride. Its classification code is Drug/Therapeutic Agent.

Physical properties about 3-Nonanone,2-amino-1-phenyl-, hydrochloride (1:1) are: (1)ACD/LogP: 3.60; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 7.03; (6)ACD/BCF (pH 7.4): 203.15; (7)ACD/KOC (pH 5.5): 47.38; (8)ACD/KOC (pH 7.4): 1369.93; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 20.31 Å²; (13)Flash Point: 161.4 °C; (14)Enthalpy of Vaporization: 58.71 kJ/mol; (15)Boiling Point: 343.3 °C at 760 mmHg; (16)Vapour Pressure: 7.12E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(C(N)Cc1ccccc1)CCCCCC
(2) InChI: InChI=1/C15H23NO.ClH/c1-2-3-4-8-11-15(17)14(16)12-13-9-6-5-7-10-13;/h5-7,9-10,14H,2-4,8,11-12,16H2,1H3;1H
(3) InChIKey: XEJQRIRVWJTGNK-UHFFFAOYAJ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 54mg/kg (54mg/kg)		Pharmazie. Vol. 51, Pg. 591, 1996. Link to PubMed

Product Name

2-amino-1-phenylnonan-3-one hydrochloride

3-Nonanone,2-amino-1-phenyl-, hydrochloride (1:1) Specification

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