3-Cyclohexene-1-aceticacid, a-amino- supplier

Name
AMINO-CYCLOHEX-3-ENYL-ACETIC ACID
EINECS 245-614-1
CAS No. 23364-04-7
Density 1.161 g/cm³
Solubility
Melting Point
Formula C₈H₁₃NO₂
Boiling Point 294.7 °C at 760 mmHg
Molecular Weight 155.197
Flash Point 132 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyclohexene-1-glycine;3-Cyclohexenylglycine;
PSA 63.32000
LogP 1.45490

3-Cyclohexene-1-aceticacid, a-amino- Specification

The 3-Cyclohexene-1-aceticacid, a-amino-, with the CAS registry number 23364-04-7, is also known as Amino-cyclohex-3-enyl-acetic acid. It belongs to the product category of Pharmacetical. Its EINECS registry number is 245-614-1. This chemical's molecular formula is C₈H₁₃NO₂ and molecular weight is 155.19. What's more, its systematic name is Amino(cyclohex-3-en-1-yl)acetic acid. In addition, this chemical's classification codes are Drug / Therapeutic Agent; Natural Product.

Physical properties about 3-Cyclohexene-1-aceticacid, a-amino- are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.4; (4)ACD/LogD (pH 7.4): -1.4; (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): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 41.6 cm³; (15)Molar Volume: 133.6 cm³; (16)Polarizability: 16.49×10^-24 cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.161 g/cm³; (19)Flash Point: 132 °C; (20)Enthalpy of Vaporization: 58.78 kJ/mol; (21)Boiling Point: 294.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000389 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)C1C/C=C\CC1
(2) InChI: InChI=1/C8H13NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,6-7H,3-5,9H2,(H,10,11)
(3) InChIKey: PWXCLVASQNMYJV-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	1gm/kg (1000mg/kg)		"CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 62, 1980.

Product Name

AMINO-CYCLOHEX-3-ENYL-ACETIC ACID

3-Cyclohexene-1-aceticacid, a-amino- Specification

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