(±)-2-Aminooctanoic acid
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(±)-2-Aminooctanoic acid
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CAS No:
644-90-6
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Formula:
C8H17NO2
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Chemical Name:
(±)-2-Aminooctanoic acid
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Synonyms:
Octanoic acid,2-amino-;Octanoic acid,2-amino-,DL-;Octanoic acid,2-amino-,(±)-;2-Aminooctanoic acid;2-Amino-DL-caprylic acid;DL-α-Aminocaprylic acid;(±)-2-Aminooctanoic acid;DL-α-Aminooctanoic acid;DL-2-Aminooctanoic acid;α-Aminocaprylic acid;α-Aminooctanoic acid;(±)-2-Aminocaprylic acid;NSC 123023;NSC 20147;DL-2-Aminocaprylic acid;(±)-α-Aminocaprylic acid;2-Azaniumyloctanoate;2187-07-7
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CAS No:
Description
ChEBI: An alpha-amino fatty acid that is caprylic acid which is substituted at position 2 by an amino group.
Solid
2-aminooctanoic acid is an alpha-amino fatty acid that is caprylic acid which is substituted at position 2 by an amino group. It has a role as a human metabolite. It is a conjugate base of a 1-carboxyheptan-1-aminium. It is a conjugate acid of a 2-aminooctanoate. It is a tautomer of a 2-aminooctanoic acid zwitterion.
Characteristics
63.32000
1.98
Solid
0.999 g/cm3
270 °C
267.8±23.0 °C at 760 mmHg
115.8±22.6 °C
19 mg/mL
147.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|141.62 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
NONH for all modes of transport
3
S22-S24/25
RH0365500
P261, P272, P280, P302+P352, P321, P333+P313, P363, P501
H317
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
(±)-2-Aminooctanoic acid Use and Manufacturing
Octanoic acid, 2-amino-: INACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Computed Properties
Molecular Weight:159.23
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:159.125928785
Monoisotopic Mass:159.125928785
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:115
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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