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CAS Number: 18881-17-9
(S)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

Structure

(S)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
Name: (S)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
Synonyms:
General Information
Product Number: 18881179
CAS Registry Number: 18881-17-9
Name:
        3-​Isoquinolinemethanol​, 1,​2,​3,​4-​tetrahydro-​, (3S)​-
        3-​Isoquinolinemethanol​, 1,​2,​3,​4-​tetrahydro-​, (S)​- (8CI); (S)​-​(-​)​-​1,​2,​3,​4-​Tetrahydro-​3-​isoquinolinemethanol; (S)​-​(1,​2,​3,​4-​Tetrahydroisoquinoli​n-​3-​yl)​methanol; (S)​-​1,​2,​3,​4-​Tetrahydro-​3-​isoquinolinemethanol; (S)​-​3-​Hydroxymethyl-​1,​2,​3,​4-​tetrahydroisoquinoli​ne 
 
Chemical Formula: C10H13NO
Exact Mass: 163.10
Molecular Weight: 163.22
m/z: 163.10 (100.0%), 164.10 (11.2%)
Elemental Analysis: C, 73.59; H, 8.03; N, 8.58; O, 9.80
 
InChI: InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1
InChIKey: ZSKDXMLMMQFHGW-JTQLQIEISA-N
Canonical SMILES : C1C(NCC2=CC=CC=C21)CO
Isomeric SMILES: C1[C@H](NCC2=CC=CC=C21)CO
 
Thermal Properties Value Condition Note
Melting Point 114-117 °C Solv: toluene (108-88-3) (4)CAS
Melting Point 105-107 °C   (5)CAS
Melting Point 95-97 °C   (2)CAS
 

Specification

98%

References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) Kawthekar, Rahul B.; South African Journal of Chemistry 2009, V63, P195-198 CAPLUS
  3. (3) Kang, Chuanqing; Chemical Communications (Cambridge, United Kingdom) 2011, V47(38), P10746-10748 CAPLUS
  4. (4) Gong, Da Chun; Chinese Chemical Letters 2005, V16(9), P1169-1172 CAPLUS
  5. (5) Schultz, Arthur G.; Journal of Organic Chemistry 1998, V63(22), P7795-7804 CAPLUS
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