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7790-12-7

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Basic Information
CAS No.: 7790-12-7
Name: propan-2-yl 7-aminoheptanoate
Molecular Structure:
Molecular Structure of 7790-12-7 (propan-2-yl 7-aminoheptanoate)
Formula: C10H21 N O2
Molecular Weight: 187.282
Synonyms: Heptanoic acid,7-amino-, isopropyl ester (6CI,8CI); 7-Aminoheptanoic acid isopropyl ester;Isopropyl 7-aminoheptanoate
Density: 0.931g/cm3
Boiling Point: 245.3°C at 760 mmHg
Flash Point: 110.1°C
Safety: Moderately toxic by ingestion and skin contact. A skin irritant. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
PSA: 52.32000
LogP: 2.54750
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Chemistry

Molecular Structure of 7-Aminoheptanoic acid, isopropyl ester (CAS NO.7790-12-7):


IUPAC:  Propan-2-yl 7-aminoheptanoate 
Molecular Formula:  C10H21NO2
Molecular Weight: 187.2792
H bond acceptors: 3
H bond donors: 2
Density: 0.931 g/cm3
Flash Point: 110.1oC
Boiling Point: 245.3oC at 760 mmHg
Index of Refraction: 1.446
Surface Tension:  32.7 dyne/cm
Molar Volume: 201.1 cm3
Enthalpy of Vaporization: 48.24 kJ/mol 
Vapour Pressure: 0.0289 mmHg at 25oC
Product Categories: Skin / Eye Irritant
SMILES: O=C(OC(C)C)CCCCCCN 
InChI: InChI=1/C10H21NO2/c1-9(2)13-10(12)7-5-3-4-6-8-11/h9H,3-8,11H2,1-2H3 
InChIKey: KJADKQLSEANQSZ-UHFFFAOYAO

Toxicity Data With Reference

1.    

skn-rbt 100 µg/24H open

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
2.    

orl-rat LD50:4000 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
3.    

skn-rbt LD50:890 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.

Safety Profile

Moderately toxic by ingestion and skin contact. A skin irritant. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.

Specification

 7-Aminoheptanoic acid, isopropyl ester with cas registry number of 7790-12-7 is also known as Heptanoic acid, 7-amino-, isopropyl ester . It would emit toxic fumes when heated to decomposition. 7-Aminoheptanoic acid, isopropyl ester with cas registry number of 7790-12-7 is used as a pharmaceutical intermediate .