(R)-(-)-1,2,3,4-테트라히드로-1-나프틸아민

1-Aminotetralin, (R)-

HCID 7058072

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23357-46-2
표준 SMILES: N[C@@H]1CCCc2ccccc21
InChIKey: JRZGPXSSNPTNMA-SNVBAGLBSA-N
분자식: C10H13N
평균 분자량: 147.22 g/mol
단동위원소 질량: 147.10479942

이름 및 식별자

우선 이름: 1-Aminotetralin, (R)-
IUPAC: (1R)-1,2,3,4-tetrahydronaphthalen-1-amine
현지명: (R)-(-)-1,2,3,4-테트라히드로-1-나프틸아민
영어명: (R)-(-)-1,2,3,4-Tetrahydro-1-naphthylamine
분자식: C10H13N
분자량: 147.22

이름 및 동의어

23357-46-2(R)-(-)-1,2,3,4-Tetrahydro-1-naphthylamine(R)-1-aminotetralin(R)-1,2,3,4-Tetrahydro-1-naphthylamine1-Aminotetralin, (R)-1-Naphthalenamine, 1,2,3,4-tetrahydro-, (1R)-F59J0838WR(-)-1-AMINOTETRALIN1-AMINOTETRALIN, (-)-EC 628-771-4(1r)-1,2,3,4-tetrahydro-1-naphthylamine(1R)-1,2,3,4-TETRAHYDRO-.ALPHA.-NAPHTHYLAMINE

이름 더 보기

(R)-(-)-1,2,3,4-테트라히드로-1-나프틸아민(R)-1-AMINOTETRALINER-tetralin amine(1R)-tetralin-1-amine(R)-(+)-1-AMINOTETRALIN(R)-(-)-1-AMINOTETRALIN(R)-(-)-1-AMINOTETRALINE(r)-(-)-1-aminotetralin tm(R)-1, 2, 3, 4- Tetrahydro- 1-

RefChem:429455(1R)-1,2,3,4-TETRAHYDRO-ALPHA-NAPHTHYLAMINE628-771-4(R)-1,2,3,4-tetrahydronaphthalen-1-amine(1R)-1,2,3,4-tetrahydronaphthalen-1-amine(R)-1-Amino-1,2,3,4-tetrahydronaphthaleneMFCD00671629CHEMBL289966

데이터베이스 식별자

CAS: 23357-46-2
PubChem CID: 7058072
DTXSID: DTXSID201335739
ChEMBL: CHEMBL289966
UNII: F59J0838WR
EC Number: 628-771-4
Nikkaji: J835.611D

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

녹는점: 116 · 116-119 °C
끓는 점: 118 · 118-120 °C/10 mbar
밀도: 1.002 g/mL · 1.002 g/mL at 25 °C
굴절률: 1.565 · 1.565
인화점: 110 °C · >110°C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 9.39 · 9.39±0.20(Predicted)
색상: Colorless to Light yellow to Light orange
수용성: 물에 용해됩니다(25°C에서 6.91g/L).
BRN: 4231302 · 4231302
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-/m1/s1
InChIKey: JRZGPXSSNPTNMA-SNVBAGLBSA-N
SMILES: [C@H]1(N)C2=C(C=CC=C2)CCC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (96.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 151 reports by companies from 7 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/11739

Hazard Classes and CategoriesAcute Tox. 4 (96.7%)

안전 데이터

wgk: 3
ridadr: UN 3082
HS 번호: 2921450090
risk_code: 36/37-51/53-36/37/38-52/53-34-22
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

용도(R)-(-)-1,2,3,4-Tetrahydro-1-naphthylamine is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field. Chiral amines play an important role in stereoselective organic synthesis. They are used directly as resolving agents, building blocks or chiral auxiliaries.