CAS 38235-68-6 Myrtanylamine, cis-(-)- (HCID 11194443)

기본 정보

CAS: 38235-68-6
표준 SMILES: CC1(C)[C@H]2CC[C@@H](CN)[C@@H]1C2
InChIKey: SYJBFPCQIJQYNV-CIUDSAMLSA-N
분자식: C10H19N
평균 분자량: 153.26 g/mol

이름 및 식별자

우선 이름: Myrtanylamine, cis-(-)-
IUPAC: [(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
영어명: (-)-cis-Myrtanylamine
분자식: C10H19N
분자량: 153.26

이름 및 동의어

(-)-cis-Myrtanylamine73522-42-6L-cis-MyrtanylamineNK4R3PKE7ZMyrtanylamine, cis-(-)-(1S,2R,5S)-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanamine((1S,2R,5S)-6,6-Dimethylbicyclo(3.1.1)heptan-2-yl)methanamineBicyclo(3.1.1)heptane-2-methanamine, 6,6-dimethyl-, (1S,2R,5S)-Bicyclo(3.1.1)heptane-2-methanamine, 6,6-dimethyl-, (1S-(1alpha,2beta,5alpha))-BICYCLO(3.1.1)HEPTANE-2-METHANAMINE, 6,6-DIMETHYL-, (1S-(1.ALPHA.,2.BETA.,5.ALPHA.))-((1s,2r,5s)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanamine[(1S,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methanamine

이름 더 보기

(?)-cis-Myrtanylamine(?)-cis-MyrtanylamineBicyclo[3.1.1]heptane-2-methanamine, 6,6-dimethyl-, (1S,2R,5S)-

RefChem:819774628-196-938235-68-6UNII-NK4R3PKE7Zcis-Myrtanylamine[(1S,2R,5S)-6,6-Dimethylnorpinan-2-yl]methanamineMFCD00001349(-) cis-myrtanylamine

데이터베이스 식별자

CAS: 38235-68-6、73522-42-6
PubChem CID: 11194443
UNII: KQ84YLP32Z、NK4R3PKE7Z
EC Number: 628-196-9
Nikkaji: J231.901B

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 162

물리화학적 성질

끓는 점: 266.22 °C · 266.22°C (rough estimate)
밀도: 0.9327 · 0.9327
굴절률: 1.4877 · 1.4877
인화점: 78 °C · 78°C
산도 계수 (pKa): 10.2 · 10.20±0.29(Predicted)
물리적 상태: liquid
InChI: 1S/C10H19N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9H,3-6,11H2,1-2H3/t7-,8-,9-/m0/s1
InChIKey: SYJBFPCQIJQYNV-CIUDSAMLSA-N
SMILES: CC1(C)[C@@]2([H])CC[C@](CN)([H])[C@@]1(C2)[H]

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 2735PSN1 8 / PGIII
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도(-)-cis-Myrtanylamine may be used:As a reactant to prepare N,N-bis((-)-cis-myrtanyl)butylene-2,3-diimine (BMDI), a bidentate diimine ligand that can form transition metal complexes for catalyzing asymmetric synthesis.As a building block to prepare imidazole derivatives, which are potent and selective cannabinoid receptor (CB2) antagonists.To prepare a chiral catalyst, which can catalyze asymmetric three-component Mannich reaction.