CAS 23357-52-0 1-Aminotetralin, (S)- (HCID 7058074)

Names & identifiers

Preferred name: 1-Aminotetralin, (S)-
IUPAC: (1S)-1,2,3,4-tetrahydronaphthalen-1-amine
English name: (S)-1,2,3,4-Tetrahydro-1-naphthalenamine
Molecular formula: C10H13N
Molecular weight: 147.22

Names & synonyms

23357-52-0(S)-1,2,3,4-tetrahydro-1-naphthylamine1-Aminotetralin, (S)-(S)-1-AMINOTETRALINCB11LAU5CV1-NAPHTHALENAMINE, 1,2,3,4-TETRAHYDRO-, (1S)-(1S)-(+)-1-Amino-1,2,3,4-tetrahydronaphthalene(+)-1-AMINOTETRALIN1-AMINOTETRALIN, (+)-EC 629-348-7DTXSID301335744(+)-1,2,3,4-Tetrahydro-1-naphthylamine

Show more names

(1S)-tetralin-1-amine(S)-(+)-1-AMINOTETRALIN(S)-(-)-1-AMINOTETRALIN(S)-1, 2, 3, 4- Tetr...(S)-(+)-1-AMINOTETRALINE(s)-(+)-1-aminotetralin tmS-(+)-1-AMinotetrahydronaphthalene26. S-1,2,3,4-Tetrahydronaphthylamine

(1S)-1,2,3,4-tetrahydro-1-naphthylamine(1S)-1,2,3,4-TETRAHYDRO-.ALPHA.-NAPHTHYLAMINERefChem:429456DTXCID601765566(1S)-1,2,3,4-TETRAHYDRO-ALPHA-NAPHTHYLAMINE629-348-7(S)-1,2,3,4-Tetrahydronaphthalen-1-amine(S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine

Database identifiers

CAS: 23357-52-0
PubChem CID: 7058074
DTXSID: DTXSID301335744
ChEMBL: CHEMBL39537
UNII: CB11LAU5CV
EC Number: 629-348-7
Nikkaji: J807.759B

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 118 · 118-120°C 7,6mm
Density: 1.01 · 1.010
refractive index: 1.565 · 1.565
Flash point: 110 °C · >110°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: liquid
pka: 9.39 · 9.39±0.20(Predicted)
color: colorless to pale yellow transparent
Water Solubility: Soluble in water.
Sensitive: Air Sensitive
BRN: 2360279 · 2360279
InChI: InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m0/s1
InChIKey: JRZGPXSSNPTNMA-JTQLQIEISA-N
SMILES: [C@@H]1(N)C2=C(C=CC=C2)CCC1
CAS DataBase Reference: 23357 · 23357-52-0(CAS DataBase Reference)
FDA UNII: 11 LAU5CV · CB11LAU5CV
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314-H412
Precautionary statements: 273 · P273-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,N,C
Risk Statements: 36 · 36/37-51/53-36/37/38-34-52/53-22
Safety Statements: 26 · 26-36/37/39-61-45
RIDADR: 3082 · UN 3082
WGK Germany: 3 · 3
TSCA: No
HazardClass: 8 · 8
PackingGroup: Ⅲ
HS Code: 29214500 · 29214500
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Skin Corr. 1C
REACH Registrations: Inactive
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (70.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 06-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12807

Hazard Classes and CategoriesAcute Tox. 4 (70.8%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: No
ridadr: UN 3082
hs_code: 29214500
risk_code: 36/37-51/53-36/37/38-34-52/53-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,N,C
safety_code: 26-36/37/39-61-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: Ⅲ
Hazard statements: H302-H314-H412
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Skin Corr. 1C
Precautionary statements: P273-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses(S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine is used as a chiral amine derivative used in studies of real-time chiral discrimination of enantiomers as well as in studies of kinetic resolution of chiral amines with ω-transaminase using an enzyme-membrane reactor.

UsesA chiral amine derivative, (S)-1,2,3,4-Tetrahydro-1-naphthalenamine can be used in studies of real-time chiral discrimination of enantiomers as well as in studies of kinetic resolution of chiral amines with ω-transaminase using an enzyme-membrane re actor.