3-아미노트로판

8-Methyl-8-azabicyclo[3.2.1]octan-3-amine

HCID 408394CAS 98998-25-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1C2CCC1CC(N)C2
InChIKey: HJGMRAKQWLKWMH-UHFFFAOYSA-N
분자식: C8H16N2
평균 분자량: 140.23 g/mol
단동위원소 질량: 140.13134852

이름 및 식별자

우선 이름: 8-Methyl-8-azabicyclo[3.2.1]octan-3-amine
IUPAC: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine
현지명: 3-아미노트로판
영어명: 3-Aminotropane
분자식: C8H16N2
분자량: 140.23

이름 및 동의어

8-Methyl-8-azabicyclo[3.2.1]octan-3-amineDTXSID609129138-Methyl-8-azabicyclo(3.2.1)octan-3-amineRefChem:548282DTXCID70896710674-333-098998-25-5MFCD002106993-Amino-8-methyl-8-azabicyclo[3.2.1]octane8-methyl-8-azabicyclo[3.2.1]oct-3-ylamineEthanone,2-(methylsulfonyl)-1-(2-pyridinyl)-exo-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

이름 더 보기

3-아미노트로판3-Aminotropane8-methyl-8-azabicyclo[3.2.1]octan-3-ylamine8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-AMINE,96%8-Methyl-8-azabicyclo[3.2.1]octan-3-amine, 3-Aminotropane

8-Azabicyclo[3.2.1]octan-3-amine, 8-methyl-NSC13185SCHEMBL334182SCHEMBL2087753NSC-13185SBB021746AKOS000307828PB14179

데이터베이스 식별자

CAS: 98998-25-5
PubChem CID: 408394
DTXSID: DTXSID60912913
EC Number: 674-333-0
Nikkaji: J1.521.448A

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 121

물리화학적 성질

녹는점: 124 · 124-125 °C(Solv: ethyl ether (60-29-7))
끓는 점: 82 ℃/8mm · 82℃/8mm
밀도: 0.99 · 0.990±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 11.03 · 11.03±0.40(Predicted)
물리적 상태: 고체
색상: 연노랑

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (33.3%)；Acute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Corr. 1B (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)