1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid

HCID 95489CAS 35186-99-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C1Cc2ccccc2CN1
InChIKey
BWKMGYQJPOAASG-UHFFFAOYSA-N
Molecular formula
C10H11NO2
Average molar mass
177.2 g/mol
Monoisotopic mass
177.07897859

Overview

used as a substitute for amino acids in synthetic peptides

Names & identifiers

Preferred name
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
IUPAC
1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
English name
H-Tic-OH
Molecular formula
C10H11NO2
Molecular weight
177.2

Names & synonyms

1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid67123-97-13-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acidC0KDL86B2LTetrahydro-3-isoquinoline carboxylic acidDTXSID80868286RefChem:71319DTXCID50816411266-580-435186-99-3H-DL-TIC-OH
Show more names
L-TIC(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID(S)-(-)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACIDH-Tic-OHH-L-TIC-OHRARECHEM BK PT 00821,2,3,4-L-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID1,2,3,4-TETRAHYDROISOQUINOLINE-3(S)-CARBOXYLIC ACIDL-1,2,3,4-TETRATHYDROISOQUINOLINE-3-CARBOXYLIC ACID
rac 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acidMFCD00191496EINECS 266-580-4CHEMBL11912STK048492AKOS001025539(R)-(+)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid

Database identifiers

CAS
35186-99-3、67123-97-1
PubChem CID
95489
DTXSID
DTXSID80868286
ChEMBL
CHEMBL11912
UNII
C0KDL86B2L
EC Number
266-580-4
Nikkaji
J269.380A

Properties

Computed structural properties

XLogP
-1.3
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
300 °C · >300 °C(lit.)
storage temp.
2 · 2-8°C
solubility
Hot Water, Basic Water
form
Solid
color
Off-White
Hazard Codes
Xi

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Applications

Uses(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid (Quinapril EP Impurity A) is a Quinapril intermediate.

Suppliers29 total

武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Hubei Lidu New Material Technology Co., Ltd+86-19307248857 +86-19307248857 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]

Related reactions

43 records
New reaction record

Linked notes

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