-
Name
BOC-(S)-2-TETRAHYDROISOQUINOLINE ACETIC ACID
- EINECS
- CAS No. 270062-98-1
- Density 1.180
- Solubility
- Melting Point
- Formula C16H21 N O4
- Boiling Point 454.5°Cat760mmHg
- Molecular Weight 291.347
- Flash Point 228.7°C
- Transport Information
- Appearance
- Safety 45-61
- Risk Codes 25-50
-
Molecular Structure
- Hazard Symbols T,N
- Synonyms 3-Isoquinolineaceticacid, 2-[(1,1-dimethylethoxy)carbonyl]-1,2,3,4-tetrahydro-, (3S)- (9CI)
- PSA 66.84000
- LogP 2.76100
Boc-(S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid Chemical Properties
Molecular Structure of Boc-(S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid (CAS NO.270062-98-1):
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IUPAC Name: 2-[(3S)-2-[(2-Methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid
Molecular Formula: C16H21NO4
Molecular Weight: 291.34
Index of Refraction: 1.542
Molar Refractivity: 77.69 cm3
Molar Volume: 246.7 cm3
Surface Tension: 45.6 dyne/cm
Density: 1.18 g/cm3
Flash Point: 228.7 °C
Enthalpy of Vaporization: 75.25 kJ/mol
Boiling Point: 454.5 °C at 760 mmHg
Vapour Pressure: 4.73E-09 mmHg at 25 °C
Product Categories: 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino
SMILES: O=C(OC(C)(C)C)N2[C@@H](Cc1c(cccc1)C2)CC(=O)O
InChI: InChI=1/C16H21NO4/c1-16(2,3)21-15(20)17-10-12-7-5-4-6-11(12)8-13(17)9-14(18)19/h4-7,13H,8-10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKey: ZQBQAMXKTHNSQM-ZDUSSCGKBG
Boc-(S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid Safety Profile
Safety Information of Boc-(S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid (CAS NO.270062-98-1):
HazardClass: IRRITANT
Boc-(S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid Specification
Boc-(S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid (CAS NO.270062-98-1), its Synonyms are 3(1H)-Isoquinolineaceticacid, 2-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro-, (3S)- ; 3-Isoquinolineaceticacid, 2-[(1,1-dimethylethoxy)carbonyl]-1,2,3,4-tetrahydro-, (3S)- (9CI) ; N-(tert-Butoxycarbonyl)-(S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid .
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