(S)-1-아미노-1,2,3,4-테트라히드로나프탈렌

1-Aminotetralin, (S)-

HCID 7058074CAS 23357-52-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N[C@H]1CCCc2ccccc21
InChIKey: JRZGPXSSNPTNMA-JTQLQIEISA-N
분자식: C10H13N
평균 분자량: 147.22 g/mol
단동위원소 질량: 147.10479942

이름 및 식별자

우선 이름: 1-Aminotetralin, (S)-
IUPAC: (1S)-1,2,3,4-tetrahydronaphthalen-1-amine
현지명: (S)-1-아미노-1,2,3,4-테트라히드로나프탈렌
영어명: (S)-1,2,3,4-Tetrahydro-1-naphthalenamine
분자식: C10H13N
분자량: 147.22

이름 및 동의어

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

이름 더 보기

(S)-1-아미노-1,2,3,4-테트라히드로나프탈렌(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 133

물리화학적 성질

끓는 점: 118 · 118-120°C 7,6mm
밀도: 1.01 · 1.010
굴절률: 1.565 · 1.565
인화점: 110 °C · >110°C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
산도 계수 (pKa): 9.39 · 9.39±0.20(Predicted)
색상: 무색~담황색 투명
수용성: 물에 용해됩니다.
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

화학적 성질

Brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

Hazard Classes and CategoriesAcute Tox. 4 (70.8%)

안전 데이터

wgk: 3
tsca: No
ridadr: UN 3082
HS 번호: 29214500
risk_code: 36/37-51/53-36/37/38-34-52/53-22
hazard_code: Xi,N,C
safety_code: 26-36/37/39-61-45
포장분류: Ⅲ
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Skin Corr. 1C
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도A 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.