ChemicalBook--->CAS DataBase List--->6329-61-9

6329-61-9

6329-61-9 Structure

6329-61-9 Structure
IdentificationMore
[Name]

Decahydroisoquinoline
[CAS]

6329-61-9
[Synonyms]

DECAHYDROISOQUINOLINE
PERHYDROISOQUINOLINE
PERHYDROISOQUINOLINE, 96%, MIXTURE OF CIS AND TRANS
decahydroisoquiline(cis-and trans-mixture)
DECAHYDROISOQUINOLINE (CIS-AND TRANS-MIXTURE)
3-Azabicyclo[4.4.0]decane
perhydroisoquinoline(PHIQ)
[EINECS(EC#)]

228-702-4
[Molecular Formula]

C9H17N
[MDL Number]

MFCD00012096
[Molecular Weight]

139.24
[MOL File]

6329-61-9.mol
Chemical PropertiesBack Directory
[Melting point ]

180 °C
[Boiling point ]

211-214 °C(lit.)
[density ]

0.936 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.4904(lit.)
[Fp ]

175 °F
[storage temp. ]

2-8°C, protect from light
[solubility ]

soluble in Methanol
[form ]

clear liquid
[pka]

11.84±0.20(Predicted)
[color ]

Colorless to Light yellow to Light orange
[InChI]

InChI=1S/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2
[InChIKey]

NENLYAQPNATJSU-UHFFFAOYSA-N
[SMILES]

C1C2C(CCCC2)CCN1
[CAS DataBase Reference]

6329-61-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

2933.49.7000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Perhydroisoquinoline has been used in the synthesis of nelfinavir mesylate.
[General Description]

Spectroscopic investigations of charge-transfer complexes of perhydroisoquinoline with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone, p-chloranil and 7,7′,8,8′-tetracyanoquinodimethane has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

Decahydroisoquinoline(6329-61-9)MS
Decahydroisoquinoline(6329-61-9)1HNMR
Decahydroisoquinoline(6329-61-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

6329-61-9(sigmaaldrich)
[TCI AMERICA]

Decahydroisoquinoline  (cis-and trans-mixture, predominant trans-isomer),>98.0%(GC)(6329-61-9)
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