2-Propanol,1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-,hydrochloride (1:1), (2S)- supplier

Name
Levobetaxolol HCL
EINECS
CAS No. 116209-55-3
Density
Solubility
Melting Point
Formula C₁₈H₂₉NO₃.ClH
Boiling Point 448 °C at 760 mmHg
Molecular Weight 343.89
Flash Point 224.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propanol,1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-,hydrochloride, (2S)- (9CI);2-Propanol,1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-,hydrochloride, (S)-;(S)-Betaxolol hydrochloride;AL 1577A;Betaxon;Levobetaxolol hydrochloride;
PSA 50.72000
LogP 3.58630

2-Propanol,1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-,hydrochloride (1:1), (2S)- Specification

The 2-Propanol,1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-,hydrochloride (1:1), (2S)-, with the CAS registry number 116209-55-3, is also known as (S)-Betaxolol hydrochloride. This chemical's molecular formula is C₁₈H₂₉NO₃.ClH and molecular weight is 343.89. What's more, its systematic name is (2S)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol hydrochloride (1:1).

Physical properties of 2-Propanol,1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-,hydrochloride (1:1), (2S)- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 9.75; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 30.93 Å²; (13)Flash Point: 224.7 °C; (14)Enthalpy of Vaporization: 74.44 kJ/mol; (15)Boiling Point: 448 °C at 760 mmHg; (16)Vapour Pressure: 8.26×10^-9 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(CCc1ccc(OC[C@@H](O)CNC(C)C)cc1)CC2CC2
(2)InChI: InChI=1/C₁₈H₂₉NO₃.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H/t17-;/m0./s1
(3)InChIKey: CHDPSNLJFOQTRK-LMOVPXPDBF

Product Name

Levobetaxolol HCL

2-Propanol,1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-,hydrochloride (1:1), (2S)- Specification

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