1-Decanaminium,N-(carboxymethyl)-N,N-dimethyl-, bromide (1:1) supplier

Name
N-(carboxymethyl)-N,N-dimethyldecan-1-aminium
EINECS
CAS No. 39995-54-5
Article Data3
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₄H₃₀NO₂
Boiling Point
Molecular Weight 324.302
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Decanaminium,N-(carboxymethyl)-N,N-dimethyl-, bromide (9CI);(Carboxymethyl)decyldimethylammoniumbromide;N-Decyl-N,N-dimethylammonioacetic acid bromide;NSC 26167;
PSA
LogP

1-Decanaminium,N-(carboxymethyl)-N,N-dimethyl-, bromide (1:1) Specification

The 1-Decanaminium,N-(carboxymethyl)-N,N-dimethyl-, bromide (1:1), with the CAS registry number 39995-54-5, is also known as (Carboxymethyl)decyldimethylammoniumbromide. This chemical's molecular formula is C₁₄H₃₀NO₂ and molecular weight is 244.39. What's more, its systematic name is N-(carboxymethyl)-N,N-dimethyldecan-1-aminium.

Physical properties of 1-Decanaminium,N-(carboxymethyl)-N,N-dimethyl-, bromide (1:1) are: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 47.53; (8)ACD/KOC (pH 7.4): 47.54; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 26.3 Å².

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)C[N+](CCCCCCCCCC)(C)C
(2)InChI: InChI=1/C14H29NO2/c1-4-5-6-7-8-9-10-11-12-15(2,3)13-14(16)17/h4-13H2,1-3H3/p+1
(3)InChIKey: NPKLJZUIYWRNMV-IKLDFBCSAR

Product Name

N-(carboxymethyl)-N,N-dimethyldecan-1-aminium

1-Decanaminium,N-(carboxymethyl)-N,N-dimethyl-, bromide (1:1) Specification

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