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136465-81-1

136465-81-1 Structure

136465-81-1 Structure
IdentificationMore
[Name]

N-(tert-Butyl)decahydroisoquinoline-3-carboxamide
[CAS]

136465-81-1
[Synonyms]

[3S-(3ALPHA,4ABETA,8ABETA)]-N-(TERT-BUTYL)DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE
(3s,4as,8ar)-n-tert-butyldecahydroisoquinoline-3-carboxamide
[(3S)-4-AZABICYCLO[4.4.0]DEC-3-YL]-N-(TERT-BUTYL)CARBOXAMIDE
N-(TERT-BUTYL)DECAHYDROISOQUINOLINE-3-CARBOXAMIDE
(S)-T-BUTYL-DECAHYDRO-3-ISOQUINOLINE CARBOXAMIDE
(S)-(-)-TERT-BUTYL-DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE
(S)-TERT-BUTYL DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE
TIMTEC-BB SBB009946
Phiq
(S)-Tert-Butyl-Decahydro-3-Isoquinolinecarboxamide 136465-81-1
(3S(3ALPHA,4A BETA,8A BETA))-N-T-BUTYL)-DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE98%
N-tert-Butyl Decahydroisoquinoline-3(S)-Carboxamide
3-Isoquinolinecarboxamide,N-(1,1-dimethylethyl)decahydro-,(3S,4aS,8aS)-
[3s-(3α,4aβ,8aβ)]-n-(tert-butyl)decahydro-3-isoquinolinecarboxamide
(S)-N-TERT-BUTYL DECAHIDRO-3-ISOQUINOLINE CARBOXAMIDE
(S,S,S)-N-tert-Butyldecahydroisoquinoline-3-carboxamide.
s-(-)-tert-Butyl-decahydro-3-isoquinolinecarboxamide, Registry
N-tert-Butyl-decahydro-(4aS, 8aS)-isochinolin-3(S)-carboxamide
(S)-N-T-BUTYL DECAHYDRO-3-ISO-QUINOLINECARBOXAMIDE
(S)-TERT-BUTYL)-DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE98%
[EINECS(EC#)]

420-380-5
[Molecular Formula]

C14H26N2O
[MDL Number]

MFCD01313226
[Molecular Weight]

238.37
[MOL File]

136465-81-1.mol
Chemical PropertiesBack Directory
[Melting point ]

112-115 °C(lit.)
[alpha ]

-70 º
[Boiling point ]

380.97°C (rough estimate)
[density ]

1.09
[vapor pressure ]

0.001-0.01Pa at 25-40℃
[refractive index ]

1.4590 (estimate)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

powder to crystal
[pka]

15.65±0.20(Predicted)
[color ]

White to Almost white
[Optical Rotation]

[α]22/D 71°, c = 1 in methanol
[InChI]

1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1
[InChIKey]

UPZBXVBPICTBDP-TUAOUCFPSA-N
[SMILES]

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1
[Surface tension]

51.9mN/m at 1g/L and 20℃
[Dissociation constant]

8.64 at 24℃
[CAS DataBase Reference]

136465-81-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

22-41-52/53
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Inactive
[HS Code ]

29334900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Fragment present in various HIV-1 protease inhibitors currently in clinical trials for AIDS treatment.
[Uses]

Intermediate in the production of HIV protease inhibitors
Spectrum DetailBack Directory
[Spectrum Detail]

N-(tert-Butyl)decahydroisoquinoline-3-carboxamide(136465-81-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

136465-81-1(sigmaaldrich)
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