1,3-아다만탄디아민

Adamantane-1,3-diamine

HCID 213512CAS 10303-95-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC12CC3CC(C1)CC(N)(C3)C2
InChIKey: FOLJMFFBEKONJP-UHFFFAOYSA-N
분자식: C10H18N2
평균 분자량: 166.26 g/mol
단동위원소 질량: 166.14699858

이름 및 식별자

우선 이름: Adamantane-1,3-diamine
IUPAC: adamantane-1,3-diamine
현지명: 1,3-아다만탄디아민
영어명: 1,3-Adamantanediamine
분자식: C10H18N2
분자량: 166.26

이름 및 동의어

Adamantane-1,3-diamine1,3-DiaminoadamantaneTricyclo[3.3.1.13,7]decane-1,3-diamineDTXSID90276893Tricyclo(3.3.1.13,7)decane-1,3-diamineRefChem:109633DTXCID90202091835-523-0FOLJMFFBEKONJP-UHFFFAOYSA-N10303-95-41,3-AdamantanediamineMFCD01831403

이름 더 보기

1,3-아다만탄디아민13AD1, 3-Amantadane Diamine4. 1,3-diaminoadamantaneAdamantan-1,3-diyldiaminAdamantane-1,3-diamine,≥98%10303-95-4 1,3-Adamantanediamine1,3-Adamantanediaminewith2HClsaltBenzeneethanol,5-amino-β,β-dimethyl-

SCHEMBL510762SCHEMBL12130587AKOS006280188BS-43833EN300-297432T70028tricyclo[3.3.1.1~3,7~]decane-1,3-diamineSR-01000400481

데이터베이스 식별자

CAS: 10303-95-4
PubChem CID: 213512
DTXSID: DTXSID90276893
EC Number: 835-523-0
Nikkaji: J511.428D

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 190

물리화학적 성질

끓는 점: 249 °C · 249 °C
밀도: 1.153 · 1.153
인화점: 122 °C · 122 °C
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 10.73 · 10.73±0.40(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C10H18N2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6,11-12H2
InChIKey: FOLJMFFBEKONJP-UHFFFAOYSA-N
SMILES: C12(N)CC3CC(CC(N)(C3)C1)C2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

HS 번호: 2921.30.5000

화학 및 산업

제조 방법 · 1건

1,3-Adamantanediamine synthesis: 1,3-Adamantane dicarboxylic acid (12 g) was mixed with 50 mL of SOCl2 and the mixture was refluxed for 3 h. Excessive SOCl2 was evaporated and 1,3-adamantane dicarbonyl dichloride was obtained as white solid, dissolved in dried benzene and added to cold ammonia solution slowly, during which a white precipitate was formed gradually filtered and then washed the precipitate several times with water to give 1,3-disaminoacyladamantane as white solid, recrystallized from ethanol. White solid, yield 10.58 g (89 %).